[ethenyl(phenyl)phosphoroso]benzene

• ChemBase ID: 79651
• Molecular Formular: C14H13OP
• Molecular Mass: 228.226181
• Monoisotopic Mass: 228.07040167
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C=C
• Canonical SMILES: C=CP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H13OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12H,1H2
• InChIKey: CQCGPNRIAFVNBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [ethenyl(phenyl)phosphoroso]benzene
• IUPAC Traditional name: [ethenyl(phenyl)phosphoroso]benzene
• Synonyms: diphenyl(vinyl)phosphine oxide

Database IDs

• MDL Number: MFCD00114913
• PubChem SID: 162044414
• PubChem CID: 420363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6841
• LogD (pH = 7.4): 3.6841
• Log P: 3.6841
• Molar Refractivity: 67.0738 cm^3
• Polarizability: 26.815725 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true