4-hydroxy-2,6-diphenyl-4H-1,4λ5-oxaphosphinin-4-one

• ChemBase ID: 228834
• Molecular Formular: C16H13O3P
• Molecular Mass: 284.246381
• Monoisotopic Mass: 284.06023091
• SMILES: P1(=O)(C=C(OC(=C1)c1ccccc1)c1ccccc1)O
• Canonical SMILES: OP1(=O)C=C(OC(=C1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H13O3P/c17-20(18)11-15(13-7-3-1-4-8-13)19-16(12-20)14-9-5-2-6-10-14/h1-12H,(H,17,18)
• InChIKey: GTQWDLLIYQXLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-2,6-diphenyl-4H-1,4λ^5-oxaphosphinin-4-one
• IUPAC Traditional name: 4-hydroxy-2,6-diphenyl-1,4λ^5-oxaphosphinin-4-one
• Synonyms: 4-Oxo-2,6-diphenyl-4H-4lambda*5*-[1,4]oxaphosphinin-4-ol

Database IDs

• CAS Number: 56153-45-8
• MDL Number: MFCD01017116
• PubChem SID: 164284744
• PubChem CID: 2322533

CALCULATED PROPERTIES

• Acid pKa: 3.8753278
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.72088534
• LogD (pH = 7.4): 0.025258334
• Log P: 2.266
• Molar Refractivity: 79.9836 cm^3
• Polarizability: 30.607449 Å^3
• Polar Surface Area: 46.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.149

Product Information

• Purity: 95%