Molecule ID: 5357627

IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)-4-methylchromen-2-one

Description: The molecule is a hydroxycoumarin that is coumarin substituted by a methyl group at position 4, a hydroxy group at position 7 and a p-methoxyphenyl group at position 3 respectively. It is a hydroxycoumarin and a monomethoxybenzene. It derives from a coumarin.

SMILES: COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C17H14O4/c1-10-14-8-5-12(18)9-15(14)21-17(19)16(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 3.1