2-[2-(diphenylphosphanyl)phenyl]phenol

• ChemBase ID: 88670
• Molecular Formular: C24H19OP
• Molecular Mass: 354.380821
• Monoisotopic Mass: 354.11735186
• SMILES: P(c1c(cccc1)c1c(cccc1)O)(c1ccccc1)c1ccccc1
• Canonical SMILES: Oc1ccccc1c1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H19OP/c25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18,25H
• InChIKey: RTFMVYDUGUHDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(diphenylphosphanyl)phenyl]phenol
• IUPAC Traditional name: 2-[2-(diphenylphosphanyl)phenyl]phenol
• Synonyms: 2-Diphenylphosphino-2'-hydroxy-biphenyl 98%

Database IDs

• MDL Number: MFCD02093524
• PubChem SID: 162075591
• PubChem CID: 2736327

CALCULATED PROPERTIES

• Acid pKa: 9.643818
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.506569
• LogD (pH = 7.4): 6.504136
• Log P: 6.5066
• Molar Refractivity: 108.74 cm^3
• Polarizability: 43.95844 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant