1,3-diphenylpropan-1-ol

• ChemBase ID: 264490
• Molecular Formular: C15H16O
• Molecular Mass: 212.28694
• Monoisotopic Mass: 212.12011513
• SMILES: C(CCc1ccccc1)(c1ccccc1)O
• Canonical SMILES: OC(c1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C15H16O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
• InChIKey: YVRQODFKFKHCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00266198
• PubChem SID: 164320400
• PubChem CID: 250129

CALCULATED PROPERTIES

• Acid pKa: 14.4735365
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.723366
• LogD (pH = 7.4): 3.723366
• Log P: 3.723366
• Molar Refractivity: 66.5127 cm^3
• Polarizability: 26.044964 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.36

Product Information

• Purity: 95%