Home Other Building Blocks 4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-

4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-

CAS No.:
19725-47-4
Catalog Number:
AG002AP4
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
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Product Description
Catalog Number:
AG002AP4
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-
CAS Number:
19725-47-4
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
MDL Number:
MFCD00016923
IUPAC Name:
2-(2-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H12O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-10H,1H3
InChI Key:
YEHDMSUNJUONMW-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cc(=O)c2c(o1)cccc2
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Development of flavonoid-based inverse agonists of the key signaling receptor US28 of human cytomegalovirus. Journal of medicinal chemistry 20130627
Methoxyflavone derivatives modulate the effect of TRAIL-induced apoptosis in human leukemic cell lines. Journal of hematology & oncology 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Multivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98. European journal of medicinal chemistry 20101001
QSAR modeling of the interaction of flavonoids with GABA(A) receptor. European journal of medicinal chemistry 20080801
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Determination of isoflavones in dietary supplements containing soy, Red Clover and kudzu: extraction followed by basic or acid hydrolysis. Journal of chromatography. A 20060224
Lipophilic flavones of Primula veris L. from field cultivation and in vitro cultures. Phytochemistry 20050501
Steroid hormone activity of flavonoids and related compounds. Breast cancer research and treatment 20000701
Properties