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206660-42-6 | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-
CAS No: 206660-42-6 Catalog No: AG002IM2 MDL No:
Product Description
Catalog Number:
AG002IM2
Chemical Name:
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2R)-
CAS Number:
206660-42-6
Molecular Formula:
C15H12O4
Molecular Weight:
256.2534
IUPAC Name:
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m1/s1
InChI Key:
URFCJEUYXNAHFI-CYBMUJFWSA-N
SMILES:
Oc1cc2O[C@H](CC(=O)c2c(c1)O)c1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.257g/mol
Monoisotopic Mass:
256.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase. | Bioorganic & medicinal chemistry 20071001 |
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