Molecule ID: 54678486

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

Description: The molecule is a member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. It is a methyl ketone and a hydroxycoumarin.

SMILES: CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

SELFIES: [C][C][=Branch1][C][=O][C][C][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

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