(3E)-5-phenyl-3-(phenylmethylidene)-2,3-dihydrofuran-2-one

• ChemBase ID: 190675
• Molecular Formular: C17H12O2
• Molecular Mass: 248.27598
• Monoisotopic Mass: 248.08372962
• SMILES: C\1(=C\c2ccccc2)/C(=O)OC(=C1)c1ccccc1
• Canonical SMILES: O=C1OC(=C/C/1=C\c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H12O2/c18-17-15(11-13-7-3-1-4-8-13)12-16(19-17)14-9-5-2-6-10-14/h1-12H/b15-11+
• InChIKey: LISLDGCWYOIVSJ-RVDMUPIBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3E)-5-phenyl-3-(phenylmethylidene)-2,3-dihydrofuran-2-one
• IUPAC Traditional name: (3E)-5-phenyl-3-(phenylmethylidene)furan-2-one

Database IDs

• PubChem SID: 164246585
• PubChem CID: 714690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.889315
• LogD (pH = 7.4): 3.889315
• Log P: 3.889315
• Molar Refractivity: 76.2307 cm^3
• Polarizability: 28.8513 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds