2-(4-phenylphenyl)propan-2-ol

• ChemBase ID: 152056
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: CC(C)(c1ccc(cc1)c1ccccc1)O
• Canonical SMILES: CC(c1ccc(cc1)c1ccccc1)(O)C
• InChI: InChI=1S/C15H16O/c1-15(2,16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11,16H,1-2H3
• InChIKey: GOKGIYHIVSGXDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylphenyl)propan-2-ol
• IUPAC Traditional name: 2-(4-phenylphenyl)propan-2-ol
• Synonyms: 2-Hydroxy-2-(4-biphenylyl)propane; 2-(4-Biphenylyl)-2-propanol; 2-羟基-2-(4-联苯基)丙烷; 2-(4-联苯基)-2-丙醇

Database IDs

• CAS Number: 34352-74-4
• EC Number: 251-955-7
• MDL Number: MFCD00014390
• Beilstein Number: 1947575
• PubChem SID: 24848661; 162246201
• PubChem CID: 118654

CALCULATED PROPERTIES

• Acid pKa: 14.5854
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5502732
• LogD (pH = 7.4): 3.5502732
• Log P: 3.5502732
• Molar Refractivity: 67.0671 cm^3
• Polarizability: 27.560467 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-92 °C; 90-93°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95.0% (HPLC); 97%
• Empirical Formula (Hill Notation): C15H16O

DETAILS

Sigma Aldrich - 14451

Packaging
50 g in glass bottle