1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene

C10H11Cl4O3P — CID 10594114

IUPAC1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(CCCl)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl4O3P/c1-2-16-18(15,4-3-11)17-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3
InChIKeyWFFLODCXLIWDDD-UHFFFAOYSA-N
MW351.98 g/mol
LogP5.49
Rot. Bonds6

About 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene

1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene (PubChem CID 10594114) has the molecular formula C10H11Cl4O3P and a molecular weight of 351.98 g/mol. Its IUPAC name is 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
PubChem CID10594114
Molecular FormulaC10H11Cl4O3P
Molecular Weight351.98 g/mol
Exact Mass349.92
IUPAC Name1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(CCCl)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl4O3P/c1-2-16-18(15,4-3-11)17-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3
InChIKeyWFFLODCXLIWDDD-UHFFFAOYSA-N
XLogP5.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.98
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene 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

ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 9477
ethoxy-methoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane
CID 17519
CID 87676034
CID 87676034
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
diethoxyphosphoryl-(2,4,6-trichloro-3-diethoxyphosphorylcarbonylphenyl)methanone
CID 57299961
1,4-dichloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
CID 21489075
2-[2-chloroethyl(octoxy)phosphoryl]oxyphenol
CID 71410364
magnesium;dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-λ5-phosphane;hydride
CID 173330701
1-[[chloro(dideuterio)methyl]-ethoxyphosphoryl]propane
CID 10330081
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
(3,4-dichlorophenyl)methyl diethyl phosphate
CID 91622424

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene?
The IUPAC name of 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene (CID 10594114) is 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene?
The canonical SMILES for 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene is CCOP(=O)(CCCl)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene?
The InChIKey is WFFLODCXLIWDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl4O3P/c1-2-16-18(15,4-3-11)17-10-6-8(13)7(12)5-9(10)14/h5-6H,2-4H2,1H3.
What are the key properties of 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene?
1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene has a molecular weight of 351.98 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trichloro-5-[2-chloroethyl(ethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 10594114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).