[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate

C10H9Cl4O4P — CID 15648813

IUPAC[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(Cl)=C/c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(14)4-6-3-8(12)9(13)5-7(6)11/h3-5H,1-2H3/b10-4+
InChIKeyDAQURACMSFYBNM-ONNFQVAWSA-N
MW365.96 g/mol
LogP5.60
Rot. Bonds5

About [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate

[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate (PubChem CID 15648813) has the molecular formula C10H9Cl4O4P and a molecular weight of 365.96 g/mol. Its IUPAC name is [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate.

Molecular Properties

Compound Name[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
PubChem CID15648813
Molecular FormulaC10H9Cl4O4P
Molecular Weight365.96 g/mol
Exact Mass363.90
IUPAC Name[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(Cl)=C/c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(14)4-6-3-8(12)9(13)5-7(6)11/h3-5H,1-2H3/b10-4+
InChIKeyDAQURACMSFYBNM-ONNFQVAWSA-N
XLogP5.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.96
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate;2,2-dichloroethenyl dimethyl phosphate
CID 91824752
[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] methyl hydrogen phosphate
CID 6913716
[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
CID 24841757
[(E)-1-bromoprop-1-en-2-yl] dimethyl phosphate
CID 5371580
1,2,4,5-tetrachloro-3-dimethoxyphosphorylbenzene
CID 20542159
methyl (Z)-2-amino-3-(2-chloro-4,5-dimethylphenyl)prop-2-enoate
CID 142427935
(2-chlorophenyl)methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
CID 6434810
[3-chloro-4-(ethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
CID 71434971
dimethoxyphosphoryl (Z)-2-methyl-3-phenylbut-2-enoate
CID 67626799
methyl 4,5-dichloro-2-(2-cyanoethenyl)benzoate
CID 91427582
methyl 2-azido-3-(2,4-dichloro-5-fluorophenyl)prop-2-enoate
CID 162386444
methyl 4,5-dichloro-2-(methylamino)benzoate
CID 156642662

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate?
The IUPAC name of [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate (CID 15648813) is [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate.
What is the SMILES notation for [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate?
The canonical SMILES for [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate is COP(=O)(OC)O/C(Cl)=C/c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate?
The InChIKey is DAQURACMSFYBNM-ONNFQVAWSA-N. The full InChI is InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(14)4-6-3-8(12)9(13)5-7(6)11/h3-5H,1-2H3/b10-4+.
What are the key properties of [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate?
[(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate has a molecular weight of 365.96 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloro-2-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate is sourced from PubChem (CID 15648813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).