[4-(4-chlorophenyl)phenyl]methanol

• ChemBase ID: 293851
• Molecular Formular: C13H11ClO
• Molecular Mass: 218.67884
• Monoisotopic Mass: 218.04984265
• SMILES: OCc1ccc(c2ccc(Cl)cc2)cc1
• Canonical SMILES: OCc1ccc(cc1)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H11ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2
• InChIKey: SKCQMBTWYIRYCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(4-chlorophenyl)phenyl]methanol
• IUPAC Traditional name: [4-(4-chlorophenyl)phenyl]methanol
• Synonyms: (4'-Chloro-[1,1'-biphenyl]-4-yl)methanol

Database IDs

• CAS Number: 22494-48-0
• MDL Number: MFCD01862510
• PubChem SID: 180679382
• PubChem CID: 12773845

CALCULATED PROPERTIES

• Acid pKa: 14.995206
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4571662
• LogD (pH = 7.4): 3.4571662
• Log P: 3.4571662
• Molar Refractivity: 62.8149 cm^3
• Polarizability: 25.625711 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%