cyclopropylmethyl(triphenyl)phosphanium;hydrobromide

C22H23BrP+ — CID 123134069

IUPACcyclopropylmethyl(triphenyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;
InChIKeyWFQSHRSBITUSIB-UHFFFAOYSA-N
MW398.30 g/mol
LogP4.97
Rot. Bonds5

About cyclopropylmethyl(triphenyl)phosphanium;hydrobromide

cyclopropylmethyl(triphenyl)phosphanium;hydrobromide (PubChem CID 123134069) has the molecular formula C22H23BrP+ and a molecular weight of 398.30 g/mol. Its IUPAC name is cyclopropylmethyl(triphenyl)phosphanium;hydrobromide.

Molecular Properties

Compound Namecyclopropylmethyl(triphenyl)phosphanium;hydrobromide
PubChem CID123134069
Molecular FormulaC22H23BrP+
Molecular Weight398.30 g/mol
Exact Mass397.07
IUPAC Namecyclopropylmethyl(triphenyl)phosphanium;hydrobromide
SMILESBr.c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;
InChIKeyWFQSHRSBITUSIB-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.30
LogP ≤ 54.97
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 cyclopropylmethyl(triphenyl)phosphanium;hydrobromide?
The IUPAC name of cyclopropylmethyl(triphenyl)phosphanium;hydrobromide (CID 123134069) is cyclopropylmethyl(triphenyl)phosphanium;hydrobromide.
What is the SMILES notation for cyclopropylmethyl(triphenyl)phosphanium;hydrobromide?
The canonical SMILES for cyclopropylmethyl(triphenyl)phosphanium;hydrobromide is Br.c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopropylmethyl(triphenyl)phosphanium;hydrobromide?
The InChIKey is WFQSHRSBITUSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;.
What are the key properties of cyclopropylmethyl(triphenyl)phosphanium;hydrobromide?
cyclopropylmethyl(triphenyl)phosphanium;hydrobromide has a molecular weight of 398.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl(triphenyl)phosphanium;hydrobromide is sourced from PubChem (CID 123134069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).