(methoxymethyl)triphenylphosphanium

• ChemBase ID: 797068
• Molecular Formular: C20H20OP+
• Molecular Mass: 307.345961
• Monoisotopic Mass: 307.12517689
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)COC
• Canonical SMILES: COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H20OP/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
• InChIKey: SDMCZCALYDCRBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methoxymethyl)triphenylphosphanium
• IUPAC Traditional name: (methoxymethyl)triphenylphosphanium
• Synonyms: (MethoxyMethyl)triphenylphosphoniuM

Database IDs

• CAS Number: 4009-98-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3299503
• LogD (pH = 7.4): 4.3299503
• Log P: 4.3299503
• Molar Refractivity: 93.3594 cm^3
• Polarizability: 36.911068 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%