dimethyl[(pentamethylphenyl)methyl]phenylphosphanium chloride

• ChemBase ID: 82257
• Molecular Formular: C20H28ClP
• Molecular Mass: 334.863081
• Monoisotopic Mass: 334.16171521
• SMILES: [P+](c1ccccc1)(Cc1c(c(c(c(c1C)C)C)C)C)(C)C.[Cl-]
• Canonical SMILES: Cc1c(C[P+](c2ccccc2)(C)C)c(C)c(c(c1C)C)C.[Cl-]
• InChI: InChI=1S/C20H28P.ClH/c1-14-15(2)17(4)20(18(5)16(14)3)13-21(6,7)19-11-9-8-10-12-19;/h8-12H,13H2,1-7H3;1H/q+1;/p-1
• InChIKey: UHDVCAIUISMNLP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(pentamethylphenyl)methyl]phenylphosphanium chloride
• IUPAC Traditional name: dimethyl[(pentamethylphenyl)methyl]phenylphosphanium chloride
• Synonyms: dimethyl(2,3,4,5,6-pentamethylbenzyl)phenylphosphonium chloride

Database IDs

• MDL Number: MFCD01763822
• PubChem SID: 162069376
• PubChem CID: 2778287

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.226122
• LogD (pH = 7.4): 6.226122
• Log P: 6.226122
• Molar Refractivity: 97.1894 cm^3
• Polarizability: 37.390232 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false