2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone

C12H6Cl3O4P — CID 58014055

IUPAC2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone
SMILESC#COP(=O)(C=C=O)O/C(=C\Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3O4P/c1-2-18-20(17,6-5-16)19-12(8-13)10-4-3-9(14)7-11(10)15/h1,3-4,6-8H/b12-8-
InChIKeyRODIEEHNVYCLRI-WQLSENKSSA-N
MW351.51 g/mol
LogP4.69
Rot. Bonds5

About 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone

2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone (PubChem CID 58014055) has the molecular formula C12H6Cl3O4P and a molecular weight of 351.51 g/mol. Its IUPAC name is 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone.

Molecular Properties

Compound Name2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone
PubChem CID58014055
Molecular FormulaC12H6Cl3O4P
Molecular Weight351.51 g/mol
Exact Mass349.91
IUPAC Name2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone
SMILESC#COP(=O)(C=C=O)O/C(=C\Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl3O4P/c1-2-18-20(17,6-5-16)19-12(8-13)10-4-3-9(14)7-11(10)15/h1,3-4,6-8H/b12-8-
InChIKeyRODIEEHNVYCLRI-WQLSENKSSA-N
XLogP4.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate
CID 16769
[(E)-1-(2,4-dichlorophenyl)prop-1-enyl] diethyl phosphate
CID 142518904
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
[(E)-2-chloro-1-(2,3,4-trichlorophenyl)ethenyl] dimethyl phosphate
CID 6445633
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;2,2-dichloroethenyl dimethyl phosphate;1-phenylethyl (E)-3-dimethoxyphosphoryloxybut-2-enoate
CID 87221812
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
(NE)-N-[(2,4-dichlorophenyl)-diethoxyphosphorylmethylidene]hydroxylamine
CID 11110183
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone?
The IUPAC name of 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone (CID 58014055) is 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone.
What is the SMILES notation for 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone?
The canonical SMILES for 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone is C#COP(=O)(C=C=O)O/C(=C\Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone?
The InChIKey is RODIEEHNVYCLRI-WQLSENKSSA-N. The full InChI is InChI=1S/C12H6Cl3O4P/c1-2-18-20(17,6-5-16)19-12(8-13)10-4-3-9(14)7-11(10)15/h1,3-4,6-8H/b12-8-.
What are the key properties of 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone?
2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone has a molecular weight of 351.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-ethynoxyphosphoryl]ethenone is sourced from PubChem (CID 58014055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).