3,4-diphenyl-2,5-dihydrofuran-2-one

• ChemBase ID: 232285
• Molecular Formular: C16H12O2
• Molecular Mass: 236.26528
• Monoisotopic Mass: 236.08372962
• SMILES: C1(=C(COC1=O)c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1OCC(=C1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H12O2/c17-16-15(13-9-5-2-6-10-13)14(11-18-16)12-7-3-1-4-8-12/h1-10H,11H2
• InChIKey: CPBAHTZRJQATEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-diphenyl-2,5-dihydrofuran-2-one
• IUPAC Traditional name: 3,4-diphenyl-5H-furan-2-one
• Synonyms: 3,4-Diphenyl-5H-furan-2-one

Database IDs

• CAS Number: 5635-16-5
• MDL Number: MFCD00598262
• PubChem SID: 164288195
• PubChem CID: 344049

CALCULATED PROPERTIES

• Acid pKa: 15.089936
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.720602
• LogD (pH = 7.4): 3.720602
• Log P: 3.720602
• Molar Refractivity: 70.0765 cm^3
• Polarizability: 27.2381 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.639

Product Information

• Purity: 95%