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288401-05-8 | 4H-1-Benzopyran-4-one, 6-(1-methylethyl)-2-phenyl-
CAS No: 288401-05-8 Catalog No: AG002WSF MDL No:
Product Description
Catalog Number:
AG002WSF
Chemical Name:
4H-1-Benzopyran-4-one, 6-(1-methylethyl)-2-phenyl-
CAS Number:
288401-05-8
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
2-phenyl-6-propan-2-ylchromen-4-one
InChI:
InChI=1S/C18H16O2/c1-12(2)14-8-9-17-15(10-14)16(19)11-18(20-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChI Key:
APJYDAHXYGPDII-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(=O)cc(o2)c1ccccc1)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| New synthetic flavone derivatives induce apoptosis of hepatocarcinoma cells. | Bioorganic & medicinal chemistry 20100901 |
| Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. | Journal of medicinal chemistry 20020912 |
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