Molecule ID: 53359706

IUPAC Name: 4-[(2S,3R)-4-(4-hydroxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

Description: The molecule is a lignan that is 2,3-dimethylbutane substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 4 respectively. It has been isolated from the bark of Machilus robusta. It has a role as a plant metabolite. It is a lignan and a member of guaiacols.

SMILES: COc1cc(C[C@H](C)[C@H](C)Cc2ccc(O)cc2)ccc1O

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

InChI: InChI=1S/C19H24O3/c1-13(10-15-4-7-17(20)8-5-15)14(2)11-16-6-9-18(21)19(12-16)22-3/h4-9,12-14,20-21H,10-11H2,1-3H3/t13-,14+/m1/s1

Molecular Properties:
- Polar Surface Area: 49.7 Ų
- LogP: 4.3