1-(4-Methoxyphenyl)-2-(triphenylphosphoranyl)ethanone

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Basic information

CAS: 53094-78-3
Standard SMILES: COc1ccc(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: WIIVDSFRQCXNIU-UHFFFAOYSA-N
Molecular formula: C27H24O2P+
Average molar mass: 411.5 g/mol
Monoisotopic mass: 411.151392

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-2-(triphenylphosphoranyl)ethanone
IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl]-triphenylphosphanium

Names & synonyms

1-(4-Methoxyphenyl)-2-(triphenylphosphoranyl)ethanone53094-78-3NSC 115683DTXSID60201172RefChem:225326DTXCID60123663NSC115683[2-(4-methoxyphenyl)-2-oxo-ethyl]-triphenyl-phosphonium[2-(4-Methoxyphenyl)-2-oxoethyl]tri(phenyl)phosphanium

Database identifiers

CAS: 53094-78-3
PubChem CID: 494095
DTXSID: DTXSID60201172
Nikkaji: J1.007.660I、J2.458.066K

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 30
Formal charge: 1
Complexity: 475

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Compound notes

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