cyclopropyl(triphenyl)phosphanium bromide

C21H20BrP — CID 2723931

IUPACcyclopropyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyXMPWFKHMCNRJCL-UHFFFAOYSA-M
MW383.27 g/mol
LogP1.15
Rot. Bonds4

About cyclopropyl(triphenyl)phosphanium bromide

cyclopropyl(triphenyl)phosphanium bromide (PubChem CID 2723931) has the molecular formula C21H20BrP and a molecular weight of 383.27 g/mol. Its IUPAC name is cyclopropyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namecyclopropyl(triphenyl)phosphanium bromide
PubChem CID2723931
Molecular FormulaC21H20BrP
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Namecyclopropyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyXMPWFKHMCNRJCL-UHFFFAOYSA-M
XLogP1.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 51.15
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 cyclopropyl(triphenyl)phosphanium bromide?
The IUPAC name of cyclopropyl(triphenyl)phosphanium bromide (CID 2723931) is cyclopropyl(triphenyl)phosphanium bromide.
What is the SMILES notation for cyclopropyl(triphenyl)phosphanium bromide?
The canonical SMILES for cyclopropyl(triphenyl)phosphanium bromide is [Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl(triphenyl)phosphanium bromide?
The InChIKey is XMPWFKHMCNRJCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1.
What are the key properties of cyclopropyl(triphenyl)phosphanium bromide?
cyclopropyl(triphenyl)phosphanium bromide has a molecular weight of 383.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2723931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).