bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane

C22H24BrO2P — CID 13141489

IUPACbromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane
SMILESCOC(CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C22H24BrO2P/c1-24-22(25-2)18-26(23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3
InChIKeyHWJDODSTJGOOTK-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.45
Rot. Bonds7

About bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane

bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane (PubChem CID 13141489) has the molecular formula C22H24BrO2P and a molecular weight of 431.31 g/mol. Its IUPAC name is bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane.

Molecular Properties

Compound Namebromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane
PubChem CID13141489
Molecular FormulaC22H24BrO2P
Molecular Weight431.31 g/mol
Exact Mass430.07
IUPAC Namebromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane
SMILESCOC(CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)OC
InChIInChI=1S/C22H24BrO2P/c1-24-22(25-2)18-26(23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3
InChIKeyHWJDODSTJGOOTK-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane?
The IUPAC name of bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane (CID 13141489) is bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane.
What is the SMILES notation for bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane?
The canonical SMILES for bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane is COC(CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)OC.
What is the InChIKey of bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane?
The InChIKey is HWJDODSTJGOOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrO2P/c1-24-22(25-2)18-26(23,19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22H,18H2,1-2H3.
What are the key properties of bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane?
bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane has a molecular weight of 431.31 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-(2,2-dimethoxyethyl)-triphenyl-lambda5-phosphane is sourced from PubChem (CID 13141489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).