ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate

C11H13Cl2O6P — CID 134828232

IUPACethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
SMILESCCOC(=O)COP(=O)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2O6P/c1-3-17-11(14)7-18-20(15,16-2)19-10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyLTODFNZGDZVSHT-UHFFFAOYSA-N
MW343.10 g/mol
LogP3.71
Rot. Bonds7

About ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate

ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate (PubChem CID 134828232) has the molecular formula C11H13Cl2O6P and a molecular weight of 343.10 g/mol. Its IUPAC name is ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
PubChem CID134828232
Molecular FormulaC11H13Cl2O6P
Molecular Weight343.10 g/mol
Exact Mass341.98
IUPAC Nameethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate
SMILESCCOC(=O)COP(=O)(OC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2O6P/c1-3-17-11(14)7-18-20(15,16-2)19-10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyLTODFNZGDZVSHT-UHFFFAOYSA-N
XLogP3.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
CID 13392474
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
sodium [2-(2,4-dichlorophenoxy)acetyl]oxymethyl-methoxyphosphinate
CID 23664115
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
ethyl 2-(2-amino-5-chlorophenoxy)acetate
CID 62305338
(2,4-dichlorophenoxy)-ethoxy-methoxy-sulfanylidene-λ5-phosphane
CID 100976953
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
ethyl N-[2-(2,4-dichlorophenoxy)acetyl]carbamate
CID 2628002
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate?
The IUPAC name of ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate (CID 134828232) is ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate.
What is the SMILES notation for ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate?
The canonical SMILES for ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate is CCOC(=O)COP(=O)(OC)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate?
The InChIKey is LTODFNZGDZVSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2O6P/c1-3-17-11(14)7-18-20(15,16-2)19-10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate?
ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate has a molecular weight of 343.10 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dichlorophenoxy)-methoxyphosphoryl]oxyacetate is sourced from PubChem (CID 134828232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).