benzyl(triethyl)phosphanium chloride

C13H22ClP — CID 22041989

IUPACbenzyl(triethyl)phosphanium chloride
SMILESCC[P+](CC)(CC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C13H22P.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKeyOZXRLJIEKITDLN-UHFFFAOYSA-M
MW244.75 g/mol
LogP1.27
Rot. Bonds5

About benzyl(triethyl)phosphanium chloride

benzyl(triethyl)phosphanium chloride (PubChem CID 22041989) has the molecular formula C13H22ClP and a molecular weight of 244.75 g/mol. Its IUPAC name is benzyl(triethyl)phosphanium chloride.

Molecular Properties

Compound Namebenzyl(triethyl)phosphanium chloride
PubChem CID22041989
Molecular FormulaC13H22ClP
Molecular Weight244.75 g/mol
Exact Mass244.11
IUPAC Namebenzyl(triethyl)phosphanium chloride
SMILESCC[P+](CC)(CC)Cc1ccccc1.[Cl-]
InChIInChI=1S/C13H22P.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKeyOZXRLJIEKITDLN-UHFFFAOYSA-M
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl(triethyl)phosphanium chloride?
The IUPAC name of benzyl(triethyl)phosphanium chloride (CID 22041989) is benzyl(triethyl)phosphanium chloride.
What is the SMILES notation for benzyl(triethyl)phosphanium chloride?
The canonical SMILES for benzyl(triethyl)phosphanium chloride is CC[P+](CC)(CC)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl(triethyl)phosphanium chloride?
The InChIKey is OZXRLJIEKITDLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22P.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of benzyl(triethyl)phosphanium chloride?
benzyl(triethyl)phosphanium chloride has a molecular weight of 244.75 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triethyl)phosphanium chloride is sourced from PubChem (CID 22041989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).