Molecule ID: 5357444

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

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

SMILES: CCCc1c(-c2ccc(OC)cc2)c(=O)oc2cc(O)ccc12

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

InChI: InChI=1S/C19H18O4/c1-3-4-16-15-10-7-13(20)11-17(15)23-19(21)18(16)12-5-8-14(22-2)9-6-12/h5-11,20H,3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 4.1