Molecule ID: 122198202

IUPAC Name: (2-methoxy-4-prop-1-enylphenyl) hydrogen sulfate

Description: The molecule is a phenylpropanoid that is isoeugenol in which the phenolic hydrogen has been replaced by a sulfo group. It is an aryl sulfate, a monomethoxybenzene and a phenylpropanoid. It derives from an isoeugenol. It is a conjugate acid of an isoeugenol sulfate(1-).

SMILES: CC=Cc1ccc(OS(=O)(=O)O)c(OC)c1

SELFIES: [C][C][=C][C][=C][C][=C][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][Branch1][Ring1][O][C][=C][Ring1][=N]

InChI: InChI=1S/C10H12O5S/c1-3-4-8-5-6-9(10(7-8)14-2)15-16(11,12)13/h3-7H,1-2H3,(H,11,12,13)

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 2.0