Molecule ID: 5274623

IUPAC Name: 4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol

Description: The molecule is a member of 1-benzofurans, a member of guaiacols, a guaiacyl lignin and a primary alcohol. It is an enantiomer of a (2S,3R)-dihydrodehydrodiconiferyl alcohol.

SMILES: COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@H]2CO)ccc1O

SELFIES: [C][O][C][=C][C][Branch2][Ring1][#Branch2][C@@H1][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Branch1][C][C][C][O][C][=C][Ring1][N][C@H1][Ring1][#C][C][O][=C][C][=C][Ring2][Ring1][#Branch1][O]

InChI: InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m1/s1

Molecular Properties:
- Polar Surface Area: 88.4 Ų
- LogP: 2.1