(2-chlorophenyl)(3-chlorophenyl)methanol

• ChemBase ID: 285704
• Molecular Formular: C13H10Cl2O
• Molecular Mass: 253.1239
• Monoisotopic Mass: 252.0108703
• SMILES: c1(C(c2cc(Cl)ccc2)O)c(Cl)cccc1
• Canonical SMILES: Clc1cccc(c1)C(c1ccccc1Cl)O
• InChI: InChI=1S/C13H10Cl2O/c14-10-5-3-4-9(8-10)13(16)11-6-1-2-7-12(11)15/h1-8,13,16H
• InChIKey: JYOCLXGPKHQPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(3-chlorophenyl)methanol
• IUPAC Traditional name: (2-chlorophenyl)(3-chlorophenyl)methanol
• Synonyms: (2-chlorophenyl)(3-chlorophenyl)methanol

Database IDs

• MDL Number: MFCD12780202
• PubChem SID: 180671235
• PubChem CID: 14417331

CALCULATED PROPERTIES

• Acid pKa: 13.455788
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1982255
• LogD (pH = 7.4): 4.198225
• Log P: 4.1982255
• Molar Refractivity: 66.7663 cm^3
• Polarizability: 26.103863 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.878

Product Information

• Purity: 95%