bis(2-chlorophenyl)methanol

• ChemBase ID: 273623
• Molecular Formular: C13H10Cl2O
• Molecular Mass: 253.1239
• Monoisotopic Mass: 252.0108703
• SMILES: C(c1c(Cl)cccc1)(c1c(Cl)cccc1)O
• Canonical SMILES: Clc1ccccc1C(c1ccccc1Cl)O
• InChI: InChI=1S/C13H10Cl2O/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,13,16H
• InChIKey: YVZIETKZIJPLJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00795287
• PubChem SID: 164329533
• PubChem CID: 230561

CALCULATED PROPERTIES

• Acid pKa: 13.330097
• 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: 26.109917 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%