1,5-diphenylpentan-3-ol

• ChemBase ID: 238220
• Molecular Formular: C17H20O
• Molecular Mass: 240.3401
• Monoisotopic Mass: 240.15141526
• SMILES: C(c1ccccc1)CC(CCc1ccccc1)O
• Canonical SMILES: OC(CCc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C17H20O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
• InChIKey: YDNNOTNUWKPRNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diphenylpentan-3-ol
• IUPAC Traditional name: 1,5-diphenylpentan-3-ol
• Synonyms: 1,5-diphenylpentan-3-ol

Database IDs

• MDL Number: MFCD13478267
• PubChem SID: 164294130
• PubChem CID: 12838510

CALCULATED PROPERTIES

• Acid pKa: 15.239263
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.456596
• LogD (pH = 7.4): 4.456596
• Log P: 4.456596
• Molar Refractivity: 75.8687 cm^3
• Polarizability: 29.663845 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 3.968

Product Information

• Purity: 95%