2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide

C23H24BrO2P — CID 2733834

IUPAC2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1
InChIKeyZCJKBPSRKLHANV-UHFFFAOYSA-M
MW443.32 g/mol
LogP0.75
Rot. Bonds6

About 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide

2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide (PubChem CID 2733834) has the molecular formula C23H24BrO2P and a molecular weight of 443.32 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide
PubChem CID2733834
Molecular FormulaC23H24BrO2P
Molecular Weight443.32 g/mol
Exact Mass442.07
IUPAC Name2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide
SMILES[Br-].c1ccc([P+](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1
InChIKeyZCJKBPSRKLHANV-UHFFFAOYSA-M
XLogP0.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide (CID 2733834) is 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide is [Br-].c1ccc([P+](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide?
The InChIKey is ZCJKBPSRKLHANV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1.
What are the key properties of 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide?
2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide has a molecular weight of 443.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)ethyl-triphenylphosphanium bromide is sourced from PubChem (CID 2733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).