benzyl(triethyl)phosphanium bromide

C13H22BrP — CID 19802069

IUPACbenzyl(triethyl)phosphanium bromide
SMILESCC[P+](CC)(CC)Cc1ccccc1.[Br-]
InChIInChI=1S/C13H22P.BrH/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
InChIKeyQQFYLZXBFWWJHR-UHFFFAOYSA-M
MW289.20 g/mol
LogP1.27
Rot. Bonds5

About benzyl(triethyl)phosphanium bromide

benzyl(triethyl)phosphanium bromide (PubChem CID 19802069) has the molecular formula C13H22BrP and a molecular weight of 289.20 g/mol. Its IUPAC name is benzyl(triethyl)phosphanium bromide.

Molecular Properties

Compound Namebenzyl(triethyl)phosphanium bromide
PubChem CID19802069
Molecular FormulaC13H22BrP
Molecular Weight289.20 g/mol
Exact Mass288.06
IUPAC Namebenzyl(triethyl)phosphanium bromide
SMILESCC[P+](CC)(CC)Cc1ccccc1.[Br-]
InChIInChI=1S/C13H22P.BrH/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
InChIKeyQQFYLZXBFWWJHR-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 ≤ 500289.20
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 bromide?
The IUPAC name of benzyl(triethyl)phosphanium bromide (CID 19802069) is benzyl(triethyl)phosphanium bromide.
What is the SMILES notation for benzyl(triethyl)phosphanium bromide?
The canonical SMILES for benzyl(triethyl)phosphanium bromide is CC[P+](CC)(CC)Cc1ccccc1.[Br-].
What is the InChIKey of benzyl(triethyl)phosphanium bromide?
The InChIKey is QQFYLZXBFWWJHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22P.BrH/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 bromide?
benzyl(triethyl)phosphanium bromide has a molecular weight of 289.20 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 bromide is sourced from PubChem (CID 19802069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).