Home Other Building Blocks 4-Benzylphenol

4-Benzylphenol

CAS No.:
101-53-1
Catalog Number:
AG0003G8
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$57
- +
25g
95%
In Stock USA
United States
$169
- +
100g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG0003G8
Chemical Name:
4-Benzylphenol
CAS Number:
101-53-1
Molecular Formula:
C13H12O
Molecular Weight:
184.2338
MDL Number:
MFCD00002384
IUPAC Name:
4-benzylphenol
InChI:
InChI=1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChI Key:
HJSPWKGEPDZNLK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Cc1ccccc1
EC Number:
202-950-3
UNII:
CS02509J25
NSC Number:
8078
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.089g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.238g/mol
Monoisotopic Mass:
184.089g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
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Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships. Chemosphere 20161101
Changing the substrate specificity of P450cam towards diphenylmethane by semi-rational enzyme engineering. Protein engineering, design & selection : PEDS 20110501
Identification and characterization of novel sirtuin inhibitor scaffolds. Bioorganic & medicinal chemistry 20091001
Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists. Journal of medicinal chemistry 20090423
Ligands to the (IRAP)/AT4 receptor encompassing a 4-hydroxydiphenylmethane scaffold replacing Tyr2. Bioorganic & medicinal chemistry 20080715
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Comparison of the reporter gene assay for ER-alpha antagonists with the immature rat uterotrophic assay of 10 chemicals. Toxicology letters 20030430
Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals. Toxicology 20030201
Genotoxic activation of benzophenone and its two metabolites by human cytochrome P450s in SOS/umu assay. Mutation research 20020826
Synthesis of p-benzylcalix[4]arene and its sulfonated water soluble derivative. Chemical communications (Cambridge, England) 20011207
Engineering the CYP101 system for in vivo oxidation of unnatural substrates. Protein engineering 20011001
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
Cloning and expression of a rat liver phenobarbital-inducible UDP-glucuronosyltransferase (2B12) with specificity for monoterpenoid alcohols. Archives of biochemistry and biophysics 19951001
Stable expression of a human liver UDP-glucuronosyltransferase (UGT2B15) with activity toward steroid and xenobiotic substrates. Drug metabolism and disposition: the biological fate of chemicals 19940101
Properties