Molecule ID: 54680692

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

Description: The molecule is a hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group. It has a role as an anticoagulant and an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor.

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

SELFIES: [C][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/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.6