triethyl(phenyl)phosphanium chloride

C12H20ClP — CID 21464749

IUPACtriethyl(phenyl)phosphanium chloride
SMILESCC[P+](CC)(CC)c1ccccc1.[Cl-]
InChIInChI=1S/C12H20P.ClH/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyZQPLVTMCKFXQJF-UHFFFAOYSA-M
MW230.72 g/mol
LogP0.39
Rot. Bonds4

About triethyl(phenyl)phosphanium chloride

triethyl(phenyl)phosphanium chloride (PubChem CID 21464749) has the molecular formula C12H20ClP and a molecular weight of 230.72 g/mol. Its IUPAC name is triethyl(phenyl)phosphanium chloride.

Molecular Properties

Compound Nametriethyl(phenyl)phosphanium chloride
PubChem CID21464749
Molecular FormulaC12H20ClP
Molecular Weight230.72 g/mol
Exact Mass230.10
IUPAC Nametriethyl(phenyl)phosphanium chloride
SMILESCC[P+](CC)(CC)c1ccccc1.[Cl-]
InChIInChI=1S/C12H20P.ClH/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyZQPLVTMCKFXQJF-UHFFFAOYSA-M
XLogP0.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-diethyl-phenylphosphanium
CID 23177091
diethyl(diphenyl)phosphanium hydroxide
CID 18407746
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
chloro-ethyl-diphenylphosphanium
CID 15830242
CID 172998208
CID 172998208
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
diphenyl(dipropyl)phosphanium chloride
CID 69307646
1-bromopropyl(triphenyl)phosphanium
CID 22011137
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium;phosphane;iodide;hydroiodide
CID 174900337
methyl-phenyl-dipropylphosphanium
CID 70584071

Frequently Asked Questions

What is the IUPAC name of triethyl(phenyl)phosphanium chloride?
The IUPAC name of triethyl(phenyl)phosphanium chloride (CID 21464749) is triethyl(phenyl)phosphanium chloride.
What is the SMILES notation for triethyl(phenyl)phosphanium chloride?
The canonical SMILES for triethyl(phenyl)phosphanium chloride is CC[P+](CC)(CC)c1ccccc1.[Cl-].
What is the InChIKey of triethyl(phenyl)phosphanium chloride?
The InChIKey is ZQPLVTMCKFXQJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20P.ClH/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethyl(phenyl)phosphanium chloride?
triethyl(phenyl)phosphanium chloride has a molecular weight of 230.72 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(phenyl)phosphanium chloride is sourced from PubChem (CID 21464749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).