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3-Methoxybenzyltriphenylphosphonium chloride
Catalog Number
ACM18880052-1
Product Name
3-Methoxybenzyltriphenylphosphonium chloride
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/18880-05-2.gif)
CAS
18880-05-2
Synonyms
18880-05-2; (3-methoxyphenyl)methyl-triphenyl-phosphanium Chloride; SCHEMBL5248234; KS-00000NNL; JSPJAIFEGTWFAK-UHFFFAOYSA-M; (3-methoxyphenyl)methyl-triphenylphosphonium chloride; (3-Methoxybenzyl)triphenylphosphonium chloride; CTK0H4366; M2463; I14-0483;
IUPAC Name
(3-methoxyphenyl)methyl-triphenylphosphanium;chloride;
Molecular Weight
418.901g/mol
Molecular Formula
C26H24ClOP;
Canonical SMILES
COC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-];
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;
InChI Key
DPYDLIVUYPUXBV-UHFFFAOYSA-M;
Complexity
400
Covalently-Bonded Unit Count
2
Exact Mass
418.125g/mol
H-Bond Acceptor
2
Heavy Atom Count
29
Monoisotopic Mass
418.125g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
9.2A^2
Application
3-Methoxybenzyltriphenylphosphonium chloride is utilized as an intermediate in the synthesis of 2-Hydroxychrysene, which is a hydroxylated metabolite derived from Chrysene. The importance of this synthesis lies in the fact that 2-Hydroxychrysene exhibits binding activity to estrogenic receptors, which can lead to toxicity.
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