chempirical

(4-Ethoxybenzyl)triphenylphosphonium bromide

C27H26BrOPCAS 82105-88-2477.38 g/mol

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OP+Br−
Ether

Properties

Molecular formula
C27H26BrOP
Molar mass
477.38 g/mol
Exact mass
476.0905 Da
logP
2.58Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
7

Identifiers

CAS number
82105-88-2
SMILES
CCOc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIKey
MZBKKJRCQNVENM-UHFFFAOYSA-M
InChI
InChI=1S/C27H26OP.BrH/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1

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Names and synonyms

2 names
  • Phosphonium, [(4-ethoxyphenyl)methyl]triphenyl-, bromide (1:1)
  • Phosphonium, [(4-ethoxyphenyl)methyl]triphenyl-, bromide

Work with (4-Ethoxybenzyl)triphenylphosphonium bromide

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

(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-666 % similar Benzyltriphenylphosphonium bromide1449-46-361 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-159 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-355 % similar Ethyl phenyl ether103-73-152 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-751 % similar 4-Carbomethoxybenzyl triphenylphosphonium chloride1253-46-951 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-648 % similar

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

Elsewhere

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