Molecule ID: 70761166

IUPAC Name: (4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone

Description: The molecule is an isoquinolol that is 1,2,3,4-tetrahydroisoquinolin-4-ol in which the hydrogen of the secondary amine is substituted by a 3-(3-hydroxy-3-methylbutyl)benzoyl group. It is a tertiary carboxamide, a tertiary alcohol, a secondary alcohol, an isoquinolinol and a member of benzamides.

SMILES: CC(C)(O)CCc1cccc(C(=O)N2Cc3ccccc3C(O)C2)c1

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

InChI: InChI=1S/C21H25NO3/c1-21(2,25)11-10-15-6-5-8-16(12-15)20(24)22-13-17-7-3-4-9-18(17)19(23)14-22/h3-9,12,19,23,25H,10-11,13-14H2,1-2H3

Molecular Properties:
- Polar Surface Area: 60.8 Ų
- LogP: 2.3