chloro-(2-chloroethoxy)-phenylphosphane

C8H9Cl2OP — CID 134932176

IUPACchloro-(2-chloroethoxy)-phenylphosphane
SMILESClCCOP(Cl)c1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-6-7-11-12(10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJXCFFOKEYIVGSN-UHFFFAOYSA-N
MW223.04 g/mol
LogP3.12
Rot. Bonds4

About chloro-(2-chloroethoxy)-phenylphosphane

chloro-(2-chloroethoxy)-phenylphosphane (PubChem CID 134932176) has the molecular formula C8H9Cl2OP and a molecular weight of 223.04 g/mol. Its IUPAC name is chloro-(2-chloroethoxy)-phenylphosphane.

Molecular Properties

Compound Namechloro-(2-chloroethoxy)-phenylphosphane
PubChem CID134932176
Molecular FormulaC8H9Cl2OP
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Namechloro-(2-chloroethoxy)-phenylphosphane
SMILESClCCOP(Cl)c1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-6-7-11-12(10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyJXCFFOKEYIVGSN-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphanyloxyethoxy(diphenyl)phosphane
CID 10950051
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
chloro-phenyl-propan-2-ylphosphane
CID 10867074
hypochlorous acid;ruthenium;tris(triphenylphosphane)
CID 160643547
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
dichloro-(2-diphenylphosphanylphenyl)phosphane
CID 5108470
palladium;ruthenium;triphenylphosphane
CID 174683160
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
[1-diphenylphosphanyl-2-(2-ethoxyethoxy)ethyl]-diphenylphosphane
CID 88682846
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane
CID 54014120
chloro-phenyl-(2-propan-2-ylphenoxy)phosphane
CID 20820446

Frequently Asked Questions

What is the IUPAC name of chloro-(2-chloroethoxy)-phenylphosphane?
The IUPAC name of chloro-(2-chloroethoxy)-phenylphosphane (CID 134932176) is chloro-(2-chloroethoxy)-phenylphosphane.
What is the SMILES notation for chloro-(2-chloroethoxy)-phenylphosphane?
The canonical SMILES for chloro-(2-chloroethoxy)-phenylphosphane is ClCCOP(Cl)c1ccccc1.
What is the InChIKey of chloro-(2-chloroethoxy)-phenylphosphane?
The InChIKey is JXCFFOKEYIVGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2OP/c9-6-7-11-12(10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of chloro-(2-chloroethoxy)-phenylphosphane?
chloro-(2-chloroethoxy)-phenylphosphane has a molecular weight of 223.04 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-chloroethoxy)-phenylphosphane is sourced from PubChem (CID 134932176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).