1,3-diphenylpropan-2-ol

• ChemBase ID: 265364
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: C(Cc1ccccc1)(Cc1ccccc1)O
• Canonical SMILES: OC(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: CDLPUTDLLBHWRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-diphenylpropan-2-ol
• IUPAC Traditional name: 1,3-diphenylpropan-2-ol
• Synonyms: 1,3-diphenylpropan-2-ol

Database IDs

• MDL Number: MFCD00022047
• PubChem SID: 164321274
• PubChem CID: 138478

CALCULATED PROPERTIES

• Acid pKa: 15.043983
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5674586
• LogD (pH = 7.4): 3.5674586
• Log P: 3.5674586
• Molar Refractivity: 66.6667 cm^3
• Polarizability: 25.966583 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.06

Product Information

• Purity: 95%