[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

C10H10Cl3O4P — CID 16769

IUPAC[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyQSGNQELHULIMSJ-UHFFFAOYSA-N
MW331.52 g/mol
LogP4.95
Rot. Bonds5

About [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate (PubChem CID 16769) has the molecular formula C10H10Cl3O4P and a molecular weight of 331.52 g/mol. Its IUPAC name is [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate.

Molecular Properties

Compound Name[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
PubChem CID16769
Molecular FormulaC10H10Cl3O4P
Molecular Weight331.52 g/mol
Exact Mass329.94
IUPAC Name[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3
InChIKeyQSGNQELHULIMSJ-UHFFFAOYSA-N
XLogP4.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
CID 6445633
[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
CID 142518904
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate;2,2-dichloroethenyl dimethyl phosphate
CID 91824752
2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone
CID 58014055
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;2,2-dichloroethenyl dimethyl phosphate;1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
CID 87221812
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
methyl 2-[(2,4-dichlorobenzoyl)amino]oxyacetate
CID 86120653
[(E)-2-chloro-1-(3,4-dichlorophenyl)ethenyl] diethyl phosphate
CID 6445634
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
methyl (E)-2-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 127255917
[(1R)-2-chloro-1-(2,4-dichlorophenyl)ethyl] dimethyl phosphate
CID 134934512
(4-chloro-2-methoxyphenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348850

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate?
The IUPAC name of [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate (CID 16769) is [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate.
What is the SMILES notation for [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate?
The canonical SMILES for [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate is COP(=O)(OC)OC(=CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate?
The InChIKey is QSGNQELHULIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3.
What are the key properties of [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate?
[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate has a molecular weight of 331.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate is sourced from PubChem (CID 16769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).