(2,3-dichlorophenyl)(phenyl)methanol

• ChemBase ID: 285364
• Molecular Formular: C13H10Cl2O
• Molecular Mass: 253.1239
• Monoisotopic Mass: 252.0108703
• SMILES: c1(c(c(Cl)ccc1)Cl)C(c1ccccc1)O
• Canonical SMILES: OC(c1cccc(c1Cl)Cl)c1ccccc1
• InChI: InChI=1S/C13H10Cl2O/c14-11-8-4-7-10(12(11)15)13(16)9-5-2-1-3-6-9/h1-8,13,16H
• InChIKey: CCQCURDMLPWZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dichlorophenyl)(phenyl)methanol
• IUPAC Traditional name: (2,3-dichlorophenyl)(phenyl)methanol
• Synonyms: (2,3-dichlorophenyl)(phenyl)methanol

Database IDs

• MDL Number: MFCD12786904
• PubChem SID: 180670895
• PubChem CID: 56828850

CALCULATED PROPERTIES

• Acid pKa: 13.473556
• 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: 26.137424 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 3.758

Product Information

• Purity: 95%