{4-[4-(hydroxymethyl)phenyl]phenyl}methanol

• ChemBase ID: 77914
• Molecular Formular: C14H14O2
• Molecular Mass: 214.25976
• Monoisotopic Mass: 214.09937969
• SMILES: OCc1ccc(cc1)c1ccc(cc1)CO
• Canonical SMILES: OCc1ccc(cc1)c1ccc(cc1)CO
• InChI: InChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
• InChIKey: SFHGONLFTNHXDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[4-(hydroxymethyl)phenyl]phenyl}methanol
• IUPAC Traditional name: {4-[4-(hydroxymethyl)phenyl]phenyl}methanol
• Synonyms: (Biphenyl-4,4'-diyl)dimethanol; 4,4'-Bis(hydroxymethyl)biphenyl

Database IDs

• CAS Number: 1667-12-5
• MDL Number: MFCD00016713
• PubChem SID: 162042755
• PubChem CID: 611786

CALCULATED PROPERTIES

• Acid pKa: 14.69423
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0857716
• LogD (pH = 7.4): 2.0857716
• Log P: 2.0857716
• Molar Refractivity: 64.826 cm^3
• Polarizability: 26.24866 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%