(diphenylphosphoroso)(phenyl)methanol

• ChemBase ID: 83025
• Molecular Formular: C19H17O2P
• Molecular Mass: 308.310841
• Monoisotopic Mass: 308.09661641
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(c1ccccc1)O
• Canonical SMILES: OC(P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17O2P/c20-19(16-10-4-1-5-11-16)22(21,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H
• InChIKey: RDTVIFVLMGZCHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylphosphoroso)(phenyl)methanol
• IUPAC Traditional name: (diphenylphosphoroso)(phenyl)methanol
• Synonyms: (diphenylphosphoryl)(phenyl)methanol

Database IDs

• MDL Number: MFCD00123314
• PubChem SID: 162070144
• PubChem CID: 608529

CALCULATED PROPERTIES

• Acid pKa: 12.730245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.4628
• LogD (pH = 7.4): 4.462798
• Log P: 4.4628
• Molar Refractivity: 89.0241 cm^3
• Polarizability: 35.408257 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true