2-(3-phenylphenyl)ethan-1-ol

• ChemBase ID: 113053
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(cc(ccc1)CCO)c1ccccc1
• Canonical SMILES: OCCc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C14H14O/c15-10-9-12-5-4-8-14(11-12)13-6-2-1-3-7-13/h1-8,11,15H,9-10H2
• InChIKey: NOPMBRCHCNZTDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylphenyl)ethan-1-ol
• IUPAC Traditional name: 2-(3-phenylphenyl)ethanol
• Synonyms: 2-[(1,1'-biphenyl)-3-yl]ethanol

Database IDs

• CAS Number: 71912-71-5
• PubChem SID: 162098292
• PubChem CID: 10703117

CALCULATED PROPERTIES

• Acid pKa: 15.871232
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1417825
• LogD (pH = 7.4): 3.1417825
• Log P: 3.1417825
• Molar Refractivity: 62.7651 cm^3
• Polarizability: 25.63593 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: >97%