tris(4-methoxyphenyl)(methyl)phosphanium bromide

• ChemBase ID: 80982
• Molecular Formular: C22H24BrO3P
• Molecular Mass: 447.301921
• Monoisotopic Mass: 446.06464326
• SMILES: [P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
• Canonical SMILES: COc1ccc(cc1)[P+](c1ccc(cc1)OC)(c1ccc(cc1)OC)C.[Br-]
• InChI: InChI=1S/C22H24O3P.BrH/c1-23-17-5-11-20(12-6-17)26(4,21-13-7-18(24-2)8-14-21)22-15-9-19(25-3)10-16-22;/h5-16H,1-4H3;1H/q+1;/p-1
• InChIKey: RCZHTBLHCLCVNB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methoxyphenyl)(methyl)phosphanium bromide
• IUPAC Traditional name: tris(4-methoxyphenyl)(methyl)phosphanium bromide
• Synonyms: tris(4-methoxyphenyl)(methyl)phosphonium bromide

Database IDs

• MDL Number: MFCD01566092
• PubChem SID: 162068101
• PubChem CID: 2776827

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.258555
• LogD (pH = 7.4): 4.258555
• Log P: 4.258555
• Molar Refractivity: 106.5616 cm^3
• Polarizability: 41.87591 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true