2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane

C18H22Br2P2 — CID 102487174

IUPAC2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
SMILESBrCCP(CCP(CCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22Br2P2/c19-11-13-21(17-7-3-1-4-8-17)15-16-22(14-12-20)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyVHIHEOVWKFHOAZ-UHFFFAOYSA-N
MW460.13 g/mol
LogP5.39
Rot. Bonds9

About 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane

2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane (PubChem CID 102487174) has the molecular formula C18H22Br2P2 and a molecular weight of 460.13 g/mol. Its IUPAC name is 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane.

Molecular Properties

Compound Name2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
PubChem CID102487174
Molecular FormulaC18H22Br2P2
Molecular Weight460.13 g/mol
Exact Mass457.96
IUPAC Name2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
SMILESBrCCP(CCP(CCBr)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22Br2P2/c19-11-13-21(17-7-3-1-4-8-17)15-16-22(14-12-20)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyVHIHEOVWKFHOAZ-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.13
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[2-[ethyl(phenyl)phosphanyl]ethyl]-phenylphosphane
CID 22760091
bis[2-(4-bromophenyl)ethyl]-phenylphosphane
CID 132525002
2-[2-(dimethylamino)ethyl-phenylphosphanyl]-N,N-dimethylethanamine
CID 70119668
3-[3-[3-hydroxypropyl(phenyl)phosphanyl]propyl-phenylphosphanyl]propan-1-ol
CID 14871357
dipentyl(phenyl)phosphane
CID 3085487
bis[3-[methyl(phenyl)phosphanyl]propyl]-phenylphosphane
CID 58654516
bis[3-di(propan-2-yloxy)phosphanylpropyl]-phenylphosphane
CID 102211792
bis(3,3-diphenyl-3-phosphanylpropyl)-phenylphosphane
CID 90110141
2-[bis(2-diphenylphosphanylethyl)phosphanyl]ethyl-[[2-[bis(2-diphenylphosphanylethyl)phosphanyl]ethyl-phenylphosphanyl]methyl]-phenylphosphane
CID 23414329
bromogold;bis(2-diphenylphosphanylethyl(diphenyl)phosphane)
CID 15017629
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The IUPAC name of 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane (CID 102487174) is 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane.
What is the SMILES notation for 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The canonical SMILES for 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane is BrCCP(CCP(CCBr)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane?
The InChIKey is VHIHEOVWKFHOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Br2P2/c19-11-13-21(17-7-3-1-4-8-17)15-16-22(14-12-20)18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane?
2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane has a molecular weight of 460.13 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl-[2-[2-bromoethyl(phenyl)phosphanyl]ethyl]-phenylphosphane is sourced from PubChem (CID 102487174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).