chempirical

(Methoxymethyl)triphenylphosphonium chloride

C20H20ClOPCAS 4009-98-7342.80 g/mol

Open in Covalent MOL file
OP+Cl−
Ether

Properties

Molecular formula
C20H20ClOP
Molar mass
342.80 g/mol
Exact mass
342.0940 Da
Melting point
191–193 °C
logP
0.59Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
4009-98-7
SMILES
COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey
SJFNDMHZXCUXSA-UHFFFAOYSA-M
InChI
InChI=1S/C20H20OP.ClH/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;1H/q+1;/p-1

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Names and synonyms

6 names
  • Phosphonium, (methoxymethyl)triphenyl-, chloride (1:1)
  • Phosphonium, (methoxymethyl)triphenyl-, chloride
  • Triphenyl(methoxymethyl)phosphonium chloride
  • NSC 49223
  • [(Methyloxy)methyl]triphenylphosphonium chloride
  • (Methoxymethyl)triphenylphosphanium chloride

Work with (Methoxymethyl)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

Ethyltriphenylphosphonium chloride896-33-355 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-450 % similar Benzyltriphenylphosphonium chloride1100-88-550 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-750 % similar (Methoxycarbonylmethyl)triphenylphosphonium chloride2181-97-750 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-350 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-450 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-550 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook