2-(Triphenylphosphoranyl)ethanol

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Basic information

CAS: 50443-21-5
Standard SMILES: OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: VQNQTIUCMJTZGX-UHFFFAOYSA-N
Molecular formula: C20H20OP+
Average molar mass: 307.3 g/mol
Monoisotopic mass: 307.12517726

Names & identifiers

Preferred name: 2-(Triphenylphosphoranyl)ethanol
IUPAC: 2-hydroxyethyl(triphenyl)phosphanium

Names & synonyms

NSC93800SCHEMBL15134152-(Triphenylphosphoranyl)ethanolSCHEMBL27577740SCHEMBL298335292-(triphenylphosphino)ethan-1-olDTXSID7013473812-hydroxyethyl(triphenyl)phosphoniumSTL308395(2-hydroxyethyl)(triphenyl)phosphoniumAKOS002272622ST50165185

Database identifiers

CAS: 50443-21-5
PubChem CID: 494065
DTXSID: DTXSID701347381
Nikkaji: J231.944F

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 1
Complexity: 266

Related reactions

1 records

New reaction record

HRID 307244As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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