1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide

C22H22BrO2P — CID 2724194

IUPAC1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
InChIKeyFRHRVQQUICVJDG-UHFFFAOYSA-M
MW429.29 g/mol
LogP0.36
Rot. Bonds5

About 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide

1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide (PubChem CID 2724194) has the molecular formula C22H22BrO2P and a molecular weight of 429.29 g/mol. Its IUPAC name is 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide
PubChem CID2724194
Molecular FormulaC22H22BrO2P
Molecular Weight429.29 g/mol
Exact Mass428.05
IUPAC Name1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1
InChIKeyFRHRVQQUICVJDG-UHFFFAOYSA-M
XLogP0.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-Diop
CID 395120
Phosphonium, [2-(1,3-dioxolan-2-yl)ethyl]triphenyl-, bromide (1:1)
CID 2733834
((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine
CID 122582
2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
CID 2724168
(+)-2,2-Dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane
CID 3084647
3,3-Diisopropoxypropyl(triphenyl)phosphonium bromide
CID 2724935
1,3-Dioxolan-2-ylmethyl(triphenyl)phosphanium
CID 2724195
Phosphonium, (2-ethoxy-2-hydroxyethenyl)triphenyl-, inner salt, (E)-
CID 54606597
2-(1,3-Dioxan-2-yl)ethyl-triphenylphosphanium
CID 2724169
[[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl]diphenylphosphine
CID 10870301
[3-(2-Methyl-1,3-dioxolan-2-yl)propyl](oxo)diphenyl-lambda~5~-phosphane
CID 13109384
2-(3-Diphenylphosphorylbutyl)-2-methyl-1,3-dioxolane
CID 13543405

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide?
The IUPAC name of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide (CID 2724194) is 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide?
The canonical SMILES for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide is [Br-].c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide?
The InChIKey is FRHRVQQUICVJDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1.
What are the key properties of 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide?
1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide has a molecular weight of 429.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ylmethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 2724194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).