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88952-74-3 | 4H-1-Benzopyran-4-one, 6-methyl-2-(4-methylphenyl)-
CAS No: 88952-74-3 Catalog No: AG00477Z MDL No:
Product Description
Catalog Number:
AG00477Z
Chemical Name:
4H-1-Benzopyran-4-one, 6-methyl-2-(4-methylphenyl)-
CAS Number:
88952-74-3
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
6-methyl-2-(4-methylphenyl)chromen-4-one
InChI:
InChI=1S/C17H14O2/c1-11-3-6-13(7-4-11)17-10-15(18)14-9-12(2)5-8-16(14)19-17/h3-10H,1-2H3
InChI Key:
RDMTVGAVRNFIEE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| 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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