Molecule ID: 5280536

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)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 a methoxy group at position 3. It has a role as an antifungal agent and a plant metabolite. It is a member of cinnamaldehydes, a phenylpropanoid and a member of guaiacols. It derives from an (E)-cinnamaldehyde.

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

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

InChI: InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.5