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

C12H14Cl3O4P — CID 5377784

IUPAC[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
InChIKeyFSAVDKDHPDSCTO-WQLSENKSSA-N
MW359.57 g/mol
LogP5.73
Rot. Bonds7

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

[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate (PubChem CID 5377784) has the molecular formula C12H14Cl3O4P and a molecular weight of 359.57 g/mol. Its IUPAC name is [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate.

Molecular Properties

Compound Name[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
PubChem CID5377784
Molecular FormulaC12H14Cl3O4P
Molecular Weight359.57 g/mol
Exact Mass357.97
IUPAC Name[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
SMILESCCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
InChIKeyFSAVDKDHPDSCTO-WQLSENKSSA-N
XLogP5.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 55.73
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate?
The IUPAC name of [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate (CID 5377784) is [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate.
What is the SMILES notation for [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate?
The canonical SMILES for [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate is CCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate?
The InChIKey is FSAVDKDHPDSCTO-WQLSENKSSA-N. The full InChI is InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-.
What are the key properties of [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate?
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate has a molecular weight of 359.57 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate is sourced from PubChem (CID 5377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).