ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate

C11H10Cl2O4 — CID 117443637

IUPACethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(Cl)cc(OC)c1Cl
InChIInChI=1S/C11H10Cl2O4/c1-3-17-11(15)10(14)7-4-6(12)5-8(16-2)9(7)13/h4-5H,3H2,1-2H3
InChIKeyWSNZVYUEQSVAMP-UHFFFAOYSA-N
MW277.10 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate

ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate (PubChem CID 117443637) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate
PubChem CID117443637
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Nameethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(Cl)cc(OC)c1Cl
InChIInChI=1S/C11H10Cl2O4/c1-3-17-11(15)10(14)7-4-6(12)5-8(16-2)9(7)13/h4-5H,3H2,1-2H3
InChIKeyWSNZVYUEQSVAMP-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate 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

ethyl 2-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117458393
ethyl 2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-2-oxoacetate
CID 117466332
ethyl 2-(5-chloro-2-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 117462293
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
CID 146010455
ethyl 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117439111
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729
ethyl 2-(5-fluoro-3-methoxy-2-methylphenyl)-2-oxoacetate
CID 117352680
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)-2-oxoacetate
CID 117352671
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate (CID 117443637) is ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1cc(Cl)cc(OC)c1Cl.
What is the InChIKey of ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate?
The InChIKey is WSNZVYUEQSVAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c1-3-17-11(15)10(14)7-4-6(12)5-8(16-2)9(7)13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate?
ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate has a molecular weight of 277.10 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate is sourced from PubChem (CID 117443637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).