chempirical

(2-Hydroxybenzyl)triphenylphosphonium bromide

C25H22BrOPCAS 70340-04-4449.33 g/mol

Open in Covalent MOL file
HBrO−P+

Properties

Molecular formula
C25H22BrOP
Molar mass
449.33 g/mol
Exact mass
448.0592 Da
logP
4.83Crippen estimate
Polar surface area
23.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
70340-04-4
SMILES
Br.[O-]c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
FKKZGQXMWVGPMH-UHFFFAOYSA-N
InChI
InChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H

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Names and synonyms

3 names
  • Phosphonium, [(2-hydroxyphenyl)methyl]triphenyl-, bromide (1:1)
  • Phosphonium, [(2-hydroxyphenyl)methyl]triphenyl-, bromide
  • (o-Hydroxybenzyl)triphenylphosphonium bromide

Work with (2-Hydroxybenzyl)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

(2-Methylbenzyl)triphenylphosphonium chloride63368-36-546 % similar 1-Naphthylmethyltriphenylphosphonium chloride23277-00-145 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-444 % similar Benzyltriphenylphosphonium chloride1100-88-541 % similar Benzyltriphenylphosphonium bromide1449-46-341 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-741 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-641 % similar (4-Carboxybutyl)triphenylphosphonium bromide17814-85-640 % similar

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

Elsewhere

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