cyclobutylmethyl(triphenyl)phosphanium bromide

C23H24BrP — CID 86583711

IUPACcyclobutylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CC2CCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24P.BrH/c1-4-13-21(14-5-1)24(19-20-11-10-12-20,22-15-6-2-7-16-22)23-17-8-3-9-18-23;/h1-9,13-18,20H,10-12,19H2;1H/q+1;/p-1
InChIKeyTYNVKJFWOKUTKG-UHFFFAOYSA-M
MW411.32 g/mol
LogP1.78
Rot. Bonds5

About cyclobutylmethyl(triphenyl)phosphanium bromide

cyclobutylmethyl(triphenyl)phosphanium bromide (PubChem CID 86583711) has the molecular formula C23H24BrP and a molecular weight of 411.32 g/mol. Its IUPAC name is cyclobutylmethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namecyclobutylmethyl(triphenyl)phosphanium bromide
PubChem CID86583711
Molecular FormulaC23H24BrP
Molecular Weight411.32 g/mol
Exact Mass410.08
IUPAC Namecyclobutylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CC2CCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24P.BrH/c1-4-13-21(14-5-1)24(19-20-11-10-12-20,22-15-6-2-7-16-22)23-17-8-3-9-18-23;/h1-9,13-18,20H,10-12,19H2;1H/q+1;/p-1
InChIKeyTYNVKJFWOKUTKG-UHFFFAOYSA-M
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 51.78
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

Triphenylphosphine
CID 11776
Methyltriphenyliphosphonium bromide
CID 74505
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Tetraphenylphosphonium Bromide
CID 2724163
1,2-Bis(diphenylphosphino)ethane
CID 74267
Allyltriphenylphosphonium bromide
CID 197740
Phosphine sulfide, triphenyl-
CID 19758
Ethyltriphenylphosphonium iodide
CID 78474
1,4-Bis(diphenylphosphino)butane
CID 82124
Triphenylmethylphosphonium Bromide
CID 621706
Dicyclohexylphenylphosphine
CID 80970

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl(triphenyl)phosphanium bromide?
The IUPAC name of cyclobutylmethyl(triphenyl)phosphanium bromide (CID 86583711) is cyclobutylmethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for cyclobutylmethyl(triphenyl)phosphanium bromide?
The canonical SMILES for cyclobutylmethyl(triphenyl)phosphanium bromide is [Br-].c1ccc([P+](CC2CCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclobutylmethyl(triphenyl)phosphanium bromide?
The InChIKey is TYNVKJFWOKUTKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24P.BrH/c1-4-13-21(14-5-1)24(19-20-11-10-12-20,22-15-6-2-7-16-22)23-17-8-3-9-18-23;/h1-9,13-18,20H,10-12,19H2;1H/q+1;/p-1.
What are the key properties of cyclobutylmethyl(triphenyl)phosphanium bromide?
cyclobutylmethyl(triphenyl)phosphanium bromide has a molecular weight of 411.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 86583711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).