(2-phenoxyethyl)triphenylphosphanium bromide

• ChemBase ID: 82252
• Molecular Formular: C26H24BrOP
• Molecular Mass: 463.345921
• Monoisotopic Mass: 462.07481402
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCOc1ccccc1.[Br-]
• Canonical SMILES: c1ccc(cc1)OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C26H24OP.BrH/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1
• InChIKey: QFIVZQJPMLZRIS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyethyl)triphenylphosphanium bromide
• IUPAC Traditional name: (2-phenoxyethyl)triphenylphosphanium bromide
• Synonyms: (2-phenoxyethyl)(triphenyl)phosphonium bromide

Database IDs

• MDL Number: MFCD00965302
• PubChem SID: 162069371
• PubChem CID: 2778279

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.115933
• LogD (pH = 7.4): 6.115933
• Log P: 6.115933
• Molar Refractivity: 117.9274 cm^3
• Polarizability: 46.54003 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false