ethyl diphenylphosphinate

• ChemBase ID: 75020
• Molecular Formular: C14H15O2P
• Molecular Mass: 246.241461
• Monoisotopic Mass: 246.08096635
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)OCC
• Canonical SMILES: CCOP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15O2P/c1-2-16-17(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
• InChIKey: QRJASDLTCXIYRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl diphenylphosphinate
• IUPAC Traditional name: ethyl diphenylphosphinate
• Synonyms: Ethyl bis(phenyl)phosphinate

Database IDs

• CAS Number: 1733-55-7
• MDL Number: MFCD00135823
• PubChem SID: 162039938
• PubChem CID: 781235

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6872
• LogD (pH = 7.4): 3.6872
• Log P: 3.6872
• Molar Refractivity: 69.387 cm^3
• Polarizability: 27.520397 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant