Molecule ID: 56600875

IUPAC Name: 4-[3-(3,4-dimethoxyphenyl)propyl]-5-methoxybenzene-1,2-diol

Description: The molecule is a member of the class of catechols that is benzene-1,2-diol substituted by a methoxy group at position 5 and a 3-(3,4-dimethoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii. It has a role as a plant metabolite. It is a member of catechols and a dimethoxybenzene.

SMILES: COc1cc(O)c(O)cc1CCCc1ccc(OC)c(OC)c1

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

InChI: InChI=1S/C18H22O5/c1-21-16-8-7-12(9-18(16)23-3)5-4-6-13-10-14(19)15(20)11-17(13)22-2/h7-11,19-20H,4-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 68.2 Ų
- LogP: 3.9