Home Other Building Blocks 4-(2-Phenylpropan-2-yl)phenol

4-(2-Phenylpropan-2-yl)phenol

CAS No.:
599-64-4
Catalog Number:
AG00340K
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%
1 week
United States
$52
- +
25g
99%
1 week
United States
$59
- +
100g
99%
1 week
United States
$82
- +
500g
99%
1 week
United States
$149
- +
Product Description
Catalog Number:
AG00340K
Chemical Name:
4-(2-Phenylpropan-2-yl)phenol
CAS Number:
599-64-4
Molecular Formula:
C15H16O
Molecular Weight:
212.2869
MDL Number:
MFCD00002365
IUPAC Name:
4-(2-phenylpropan-2-yl)phenol
InChI:
InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
InChI Key:
QBDSZLJBMIMQRS-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccccc1)(C)C
EC Number:
209-968-0
UNII:
2RLA3OL3QT
NSC Number:
6237
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.12g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.292g/mol
Monoisotopic Mass:
212.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Incorporation of metabolic enzymes to improve predictivity of reporter gene assay results for estrogenic and anti-androgenic activity. Reproductive toxicology (Elmsford, N.Y.) 20180101
Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships. Chemosphere 20161101
Are structural analogues to bisphenol a safe alternatives? Toxicological sciences : an official journal of the Society of Toxicology 20140501
A characteristic back support structure in the bisphenol A-binding pocket in the human nuclear receptor ERRγ. PloS one 20140101
Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway. Scientific reports 20140101
Development of sensitive direct and indirect enzyme-linked immunosorbent assays (ELISAs) for monitoring bisphenol-A in canned foods and beverages. Analytical and bioanalytical chemistry 20120601
Determination of endocrine-disrupting phenols in water samples by a new manual shaking-enhanced, ultrasound-assisted emulsification microextraction method. The Analyst 20120507
Seasonal distribution, source investigation and vertical profile of phenolic endocrine disrupting compounds in Dianchi Lake, China. Journal of environmental monitoring : JEM 20120401
Bisphenol A and its analogues activate human pregnane X receptor. Environmental health perspectives 20120301
BPA and PXR activation: human receptor is affected, mouse receptor is not. Environmental health perspectives 20120301
Distribution and bioaccumulation of steroidal and phenolic endocrine disrupting chemicals in wild fish species from Dianchi Lake, China. Environmental pollution (Barking, Essex : 1987) 20111001
Sonolytic degradation of endocrine disrupting chemical 4-cumylphenol in water. Ultrasonics sonochemistry 20110901
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Tailored TiO2 layers for the photocatalytic ozonation of cumylphenol, a refractory pollutant exerting hormonal activity. Chemical communications (Cambridge, England) 20110307
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands. Chemico-biological interactions 20101205
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Dispersive liquid-liquid microextraction versus single-drop microextraction for the determination of several endocrine-disrupting phenols from seawaters. Talanta 20100315
Renal Tubular Cyst Formation in Newborn Rats Treated with p-Cumylphenol. Journal of toxicologic pathology 20090601
ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner. Biochemical and biophysical research communications 20080829
Micelle-mediated extractions using nonionic surfactant mixtures and HPLC-UV to determine endocrine-disrupting phenols in seawaters. Analytical and bioanalytical chemistry 20080601
[Status of trace organic pollution in the network water came from Huangpu River]. Wei sheng yan jiu = Journal of hygiene research 20080301
Direct evidence revealing structural elements essential for the high binding ability of bisphenol A to human estrogen-related receptor-gamma. Environmental health perspectives 20080101
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Comparative susceptibility of newborn and young rats to six industrial chemicals. Congenital anomalies 20051201
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. Journal of medicinal chemistry 20050908
[Studies on chemical constitutes of green alga Chaetomorpha basiretorsa and their bioactivity]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20050801
Estrogenic activity of impurities in industrial grade bisphenol A. Environmental science & technology 20050515
Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals. Toxicology 20030201
Male-specific suppression of hepatic microsomal UDP-glucuronosyl transferase activities toward sex hormones in the adult male rat administered bisphenol A. The Biochemical journal 20021215
Identification of unknown surfactants using electrospray mass spectrometry and NMR spectroscopy preceded by liquid ionization mass spectrometry. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020501
Comparison of reporter gene assay and immature rat uterotrophic assay of twenty-three chemicals. Toxicology 20020115
Measurement of estrogenic activity of chemicals for the development of new dental polymers. Toxicology in vitro : an international journal published in association with BIBRA 20010101
Properties