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

• ChemBase ID: 263368
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: c1(ccc(cc1)[C@@H](O)C)c1ccccc1
• Canonical SMILES: C[C@@H](c1ccc(cc1)c1ccccc1)O
• InChI: InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,15H,1H3/t11-/m0/s1
• InChIKey: GOISDOCZKZYADO-NSHDSACASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(4-phenylphenyl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(4-phenylphenyl)ethanol
• Synonyms: (1S)-1-(4-phenylphenyl)ethan-1-ol

Database IDs

• MDL Number: MFCD09863661
• PubChem SID: 164319278
• PubChem CID: 7000105

CALCULATED PROPERTIES

• Acid pKa: 14.788361
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2696965
• LogD (pH = 7.4): 3.2696965
• Log P: 3.2696965
• Molar Refractivity: 62.4289 cm^3
• Polarizability: 25.714964 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 3.301

Product Information

• Purity: 95%