(diphenylphosphoroso)(furan-2-yl)methanol

• ChemBase ID: 83031
• Molecular Formular: C17H15O3P
• Molecular Mass: 298.272961
• Monoisotopic Mass: 298.07588097
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(c1ccco1)O
• Canonical SMILES: OC(P(=O)(c1ccccc1)c1ccccc1)c1ccco1
• InChI: InChI=1S/C17H15O3P/c18-17(16-12-7-13-20-16)21(19,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17-18H
• InChIKey: QSQNTHAUQYOCHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylphosphoroso)(furan-2-yl)methanol
• IUPAC Traditional name: (diphenylphosphoroso)(furan-2-yl)methanol
• Synonyms: (Diphenylphosphoryl)(fur-2-yl)methanol

Database IDs

• MDL Number: MFCD00046112
• PubChem SID: 162070150
• PubChem CID: 2779469

CALCULATED PROPERTIES

• Acid pKa: 11.816075
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4111998
• LogD (pH = 7.4): 3.4111834
• Log P: 3.4112
• Molar Refractivity: 81.415 cm^3
• Polarizability: 32.24554 Å^3
• Polar Surface Area: 50.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful