2,3-diphenylprop-2-enal

• ChemBase ID: 112333
• Molecular Formular: C15H12O
• Molecular Mass: 208.25518
• Monoisotopic Mass: 208.088815
• SMILES: O=C/C(=C/c1ccccc1)/c1ccccc1
• Canonical SMILES: O=C/C(=C/c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C15H12O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H
• InChIKey: JYVONCAJVKBEGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diphenylprop-2-enal
• IUPAC Traditional name: 2,3-diphenylprop-2-enal
• Synonyms: 3,3-DIPHENYL ACROLEIN

Database IDs

• CAS Number: 13702-35-7
• PubChem SID: 162098176
• PubChem CID: 5383391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6455579
• LogD (pH = 7.4): 3.6455579
• Log P: 3.6455579
• Molar Refractivity: 66.5866 cm^3
• Polarizability: 25.49347 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05223529

MP Biomedicals Rare Chemical collection