Molecule ID: 5353609

IUPAC Name: methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate

Description: The molecule is a cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. It has a role as a human urinary metabolite. It is a cinnamate ester, a member of hydroquinones and a methyl ester.

SMILES: COC(=O)/C=C/c1cc(O)ccc1O

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

InChI: InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 1.5