2-(4-phenylphenyl)ethan-1-ol

• ChemBase ID: 44822
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(c2ccccc2)ccc(cc1)CCO
• Canonical SMILES: OCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C14H14O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2
• InChIKey: CLGLKAAXNFFWON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)ethan-1-ol
• IUPAC Traditional name: 2-(4-phenylphenyl)ethanol
• Synonyms: 2-[1,1'-Biphenyl]-4-yl-1-ethanol; 2-(Biphenyl-4-yl)ethan-1-ol; 4-Phenylphenethyl alcohol; 4-(2-Hydroxyethyl)biphenyl

Database IDs

• CAS Number: 37729-18-3
• MDL Number: MFCD09926182
• PubChem SID: 162049585
• PubChem CID: 6424577

CALCULATED PROPERTIES

• Acid pKa: 15.877531
• 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: 25.635176 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%