Molecule ID: 33605

IUPAC Name: (2,4-dichlorophenyl)-phenyl-pyrimidin-5-ylmethanol

Description: The molecule is a member of the class of pyrimidines that is methanol in which the hydrogens of the methyl group have been replaced by pyrimidin-5-yl, phenyl, and 2,4-dichlorophenyl groups, respectively. It is a member of pyrimidines, a tertiary alcohol, an aromatic alcohol and a dichlorobenzene.

SMILES: OC(c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H

Molecular Properties:
- Polar Surface Area: 46.0 Ų
- LogP: 2.6