diphenylphosphane;ethyl-oxo-phenylphosphanium

C20H21OP2+ — CID 174463449

IUPACdiphenylphosphane;ethyl-oxo-phenylphosphanium
SMILESCC[P+](=O)c1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H10OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-10(9)8-6-4-3-5-7-8/h1-10,13H;3-7H,2H2,1H3/q;+1
InChIKeyLXNAVILUUUXLSD-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.48
Rot. Bonds4

About diphenylphosphane;ethyl-oxo-phenylphosphanium

diphenylphosphane;ethyl-oxo-phenylphosphanium (PubChem CID 174463449) has the molecular formula C20H21OP2+ and a molecular weight of 339.34 g/mol. Its IUPAC name is diphenylphosphane;ethyl-oxo-phenylphosphanium.

Molecular Properties

Compound Namediphenylphosphane;ethyl-oxo-phenylphosphanium
PubChem CID174463449
Molecular FormulaC20H21OP2+
Molecular Weight339.34 g/mol
Exact Mass339.11
IUPAC Namediphenylphosphane;ethyl-oxo-phenylphosphanium
SMILESCC[P+](=O)c1ccccc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H10OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-10(9)8-6-4-3-5-7-8/h1-10,13H;3-7H,2H2,1H3/q;+1
InChIKeyLXNAVILUUUXLSD-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(diphenylphosphane);ethanol
CID 175242741
diphenylphosphane;ethylphosphane
CID 158116406
oxo-phenyl-propylphosphanium
CID 19035096
diphenylphosphane;octane
CID 19797985
diphenylphosphane;zinc
CID 160591319
bis(diphenylphosphane);zinc
CID 160732089
butane;dichloronickel;diphenylphosphane
CID 160852831
dichloromethane;diphenylphosphane
CID 158269242
diphenylphosphane;iron(3+);methanone
CID 174711189
ethyl-oxo-(2-phenylphosphanylethyl)phosphanium
CID 23566003
(3,5-dimethylphenyl)-phenylphosphane
CID 22961936
benzenesulfonate;diphenylphosphane;mercury(1+)
CID 88837367

Frequently Asked Questions

What is the IUPAC name of diphenylphosphane;ethyl-oxo-phenylphosphanium?
The IUPAC name of diphenylphosphane;ethyl-oxo-phenylphosphanium (CID 174463449) is diphenylphosphane;ethyl-oxo-phenylphosphanium.
What is the SMILES notation for diphenylphosphane;ethyl-oxo-phenylphosphanium?
The canonical SMILES for diphenylphosphane;ethyl-oxo-phenylphosphanium is CC[P+](=O)c1ccccc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;ethyl-oxo-phenylphosphanium?
The InChIKey is LXNAVILUUUXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C8H10OP/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-10(9)8-6-4-3-5-7-8/h1-10,13H;3-7H,2H2,1H3/q;+1.
What are the key properties of diphenylphosphane;ethyl-oxo-phenylphosphanium?
diphenylphosphane;ethyl-oxo-phenylphosphanium has a molecular weight of 339.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;ethyl-oxo-phenylphosphanium is sourced from PubChem (CID 174463449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).