1,1-diphenylpropan-2-ol

• ChemBase ID: 137641
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: CC(C(c1ccccc1)c1ccccc1)O
• Canonical SMILES: CC(C(c1ccccc1)c1ccccc1)O
• InChI: InChI=1S/C15H16O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15-16H,1H3
• InChIKey: BDZAWYBXBHTHFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diphenylpropan-2-ol
• IUPAC Traditional name: 1,1-diphenylpropan-2-ol
• Synonyms: 1,1-Diphenyl-2-propanol; 1,1-二苯基-2-丙醇

Database IDs

• CAS Number: 29338-49-6
• EC Number: 249-574-6
• MDL Number: MFCD00004524
• PubChem SID: 162231903
• PubChem CID: 99867

CALCULATED PROPERTIES

• Acid pKa: 15.078746
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.409909
• LogD (pH = 7.4): 3.409909
• Log P: 3.409909
• Molar Refractivity: 66.6143 cm^3
• Polarizability: 26.044039 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-62 °C(lit.)

Safety Information

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

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2CHCH(OH)CH3