[3-(4-chlorophenyl)phenyl]methanol

• ChemBase ID: 797975
• Molecular Formular: C13H11ClO
• Molecular Mass: 218.67884
• Monoisotopic Mass: 218.04984265
• SMILES: C(O)c1cccc(c1)c1ccc(cc1)Cl
• Canonical SMILES: OCc1cccc(c1)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H11ClO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-8,15H,9H2
• InChIKey: WBRGFIOYXJHTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-chlorophenyl)phenyl]methanol
• IUPAC Traditional name: [3-(4-chlorophenyl)phenyl]methanol
• Synonyms: (4'-Chloro-biphenyl-3-yl)-methanol

Database IDs

• CAS Number: 773872-39-2

CALCULATED PROPERTIES

• Acid pKa: 14.970181
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4571662
• LogD (pH = 7.4): 3.457166
• Log P: 3.4571662
• Molar Refractivity: 62.8149 cm^3
• Polarizability: 25.626078 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%