chempirical

3-Methoxybenzyltriphenylphosphonium chloride

C26H24ClOPCAS 18880-05-2418.90 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
271–272 °C
logP
2.19Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
18880-05-2
SMILES
COc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-]
InChIKey
DPYDLIVUYPUXBV-UHFFFAOYSA-M
InChI
InChI=1S/C26H24OP.ClH/c1-27-23-13-11-12-22(20-23)21-28(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, [(3-methoxyphenyl)methyl]triphenyl-, chloride (1:1)
  • Phosphonium, (m-methoxybenzyl)triphenyl-, chloride
  • Phosphonium, [(3-methoxyphenyl)methyl]triphenyl-, chloride

Work with 3-Methoxybenzyltriphenylphosphonium 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

(3-Methylbenzyl)triphenylphosphonium chloride63368-37-663 % similar Benzyltriphenylphosphonium chloride1100-88-559 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-754 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-850 % similar (3-Methoxyphenyl)acetonitrile19924-43-749 % similar 3-Methoxybenzylamine5071-96-549 % similar 3-Methoxybenzyl alcohol6971-51-349 % similar 3-Methoxybenzyl chloride824-98-649 % similar

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

Same formula

(4-Methoxybenzyl)triphenylphosphonium chloride3462-97-3

Elsewhere

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