chempirical

(4-Methoxybenzyl)triphenylphosphonium chloride

C26H24ClOPCAS 3462-97-3418.90 g/mol

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OP+Cl−
Ether

Properties

Molecular formula
C26H24ClOP
Molar mass
418.90 g/mol
Exact mass
418.1253 Da
Melting point
241–243 °C
logP
2.19Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
3462-97-3
SMILES
COc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Cl-]
InChIKey
YQXBNCFNXOFWLR-UHFFFAOYSA-M
InChI
InChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

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Names and synonyms

5 names
  • Phosphonium, [(4-methoxyphenyl)methyl]triphenyl-, chloride (1:1)
  • Phosphonium, (p-methoxybenzyl)triphenyl-, chloride
  • Phosphonium, [(4-methoxyphenyl)methyl]triphenyl-, chloride
  • (p-Methoxybenzyl)triphenylphosphonium chloride
  • [(4-Methoxyphenyl)methyl]triphenylphosphonium chloride

Work with (4-Methoxybenzyl)triphenylphosphonium chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-770 % similar Benzyltriphenylphosphonium chloride1100-88-565 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-858 % similar (4-Ethoxybenzyl)triphenylphosphonium bromide82105-88-255 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-655 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-651 % similar Benzyltriphenylphosphonium bromide1449-46-350 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methoxybenzyltriphenylphosphonium chloride18880-05-2

Elsewhere

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