tetraphenylphosphanium benzenolate

• ChemBase ID: 291992
• Molecular Formular: C30H25OP
• Molecular Mass: 432.492661
• Monoisotopic Mass: 432.16430205
• SMILES: [O-]c1ccccc1.c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]c1ccccc1
• InChI: InChI=1S/C24H20P.C6H6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1
• InChIKey: ZLLNYWQSSYUXJM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylphosphanium benzenolate
• IUPAC Traditional name: tetraphenylphosphonium phenolate
• Synonyms: Tetraphenylphosphonium phenolate

Database IDs

• CAS Number: 15464-47-8
• MDL Number: MFCD22200717
• PubChem SID: 180677523
• PubChem CID: 11122906

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0781937
• LogD (pH = 7.4): 6.0781937
• Log P: 6.0781937
• Molar Refractivity: 107.0972 cm^3
• Polarizability: 42.196945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%