Molecule ID: 5282095

IUPAC Name: 5-[(E)-3-hydroxyprop-1-enyl]-3-methoxybenzene-1,2-diol

Description: The molecule is a phenylpropanoid that is cinnamyl alcohol in which the hydrogens at positions 3 and 4 on the benzene ring are replaced by hydroxy groups while that at position 5 is replaced by a methoxy group. It has a role as a plant metabolite. It is a catechol, a phenylpropanoid and a member of guaiacols. It derives from a cinnamyl alcohol.

SMILES: COc1cc(/C=C/CO)cc(O)c1O

SELFIES: [C][O][C][=C][C][Branch1][Branch1][/C][=C][/C][O][=C][C][Branch1][C][O][=C][Ring1][O][O]

InChI: InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+

Molecular Properties:
- Polar Surface Area: 69.9 Ų
- LogP: 0.9