Molecule ID: 54684598

IUPAC Name: 4-hydroxy-3-[(1R)-3-oxo-1-phenylbutyl]chromen-2-one

Description: The molecule is a 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (R)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide). It is a conjugate acid of a (R)-warfarin(1-). It is an enantiomer of a (S)-warfarin.

SMILES: CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O

SELFIES: [C][C][=Branch1][C][=O][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]

InChI: InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 2.7