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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Related Compounds

1,1-dimethoxypropane;toluene
CID 91421331
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
bromo-triphenyl-prop-2-enyl-λ5-phosphane
CID 171779697
1-[bromo(triphenyl)-λ5-phosphanyl]-4-methylpentan-2-one
CID 15016567
methyl 2-(benzyl-bromo-diphenyl-λ5-phosphanyl)benzoate
CID 164679245
2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 166530663
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
CID 155675021
bromo-[[2-[2-[[bromo(triphenyl)-λ5-phosphanyl]methyl]phenoxy]phenyl]methyl]-triphenyl-λ5-phosphane
CID 134869477
bromo-[(4-ethoxyphenyl)methyl]-triphenyl-λ5-phosphane
CID 139754467
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039

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).