1,5-diphenylpentan-3-one

• ChemBase ID: 238040
• Molecular Formular: C17H18O
• Molecular Mass: 238.32422
• Monoisotopic Mass: 238.1357652
• SMILES: O=C(CCc1ccccc1)CCc1ccccc1
• Canonical SMILES: O=C(CCc1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C17H18O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
• InChIKey: JENANTGGBLOTIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-diphenylpentan-3-one
• IUPAC Traditional name: 3-pentanone, 1,5-diphenyl-
• Synonyms: 1,5-diphenylpentan-3-one

Database IDs

• MDL Number: MFCD13478258
• PubChem SID: 164293950
• PubChem CID: 21496

CALCULATED PROPERTIES

• Acid pKa: 19.99727
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.664097
• LogD (pH = 7.4): 4.664097
• Log P: 4.664097
• Molar Refractivity: 74.8406 cm^3
• Polarizability: 29.270638 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.836

Product Information

• Purity: 95%