Molecule ID: 5280802

IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

Description: The molecule is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a dimethoxybenzene and a member of phenols. It derives from an (E)-cinnamaldehyde.

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

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

InChI: InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 1.4