(2H3)methyltris(4-methylphenyl)phosphanium iodide

• ChemBase ID: 174426
• Molecular Formular: C22H24IP
• Molecular Mass: 446.304191
• Monoisotopic Mass: 446.0660354
• SMILES: [P+](c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)C.[I-]
• Canonical SMILES: Cc1ccc(cc1)[P+](c1ccc(cc1)C)(c1ccc(cc1)C)C.[I-]
• InChI: InChI=1S/C22H24P.HI/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;/h5-16H,1-4H3;1H/q+1;/p-1
• InChIKey: SUQPXWWSBRNXEE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)methyltris(4-methylphenyl)phosphanium iodide
• IUPAC Traditional name: (^2H₃)methyltris(4-methylphenyl)phosphanium iodide
• Synonyms: (Methyl)tris(4-methylphenyl)phosphonium Iodide-d3; (Methyl)tris(p-tolyl)phosphonium Iodide-d3; (Methyl)tri-4-tolylphosphonium Iodide-d3

Database IDs

• PubChem SID: 164230336
• PubChem CID: 46782333

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.271833
• LogD (pH = 7.4): 6.271833
• Log P: 6.271833
• Molar Refractivity: 102.2956 cm^3
• Polarizability: 39.73517 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - M331252

Wittig reagent