Molecule ID: 1549095

IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol

Description: The molecule is a phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. It has a role as a monolignol, a mouse metabolite and a volatile oil component. It is a phenylpropanoid and a member of guaiacols. It derives from an (E)-cinnamyl alcohol.

SMILES: COc1cc(/C=C/CO)ccc1O

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

InChI: InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 1.4