ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate

C10H7Cl3O3 — CID 82550947

IUPACethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate
SMILESCCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H7Cl3O3/c1-2-16-10(15)9(14)5-3-4-6(11)8(13)7(5)12/h3-4H,2H2,1H3
InChIKeyDCOHNTGUGSTQQL-UHFFFAOYSA-N
MW281.52 g/mol
LogP3.39
Rot. Bonds3

About ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate

ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate (PubChem CID 82550947) has the molecular formula C10H7Cl3O3 and a molecular weight of 281.52 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate
PubChem CID82550947
Molecular FormulaC10H7Cl3O3
Molecular Weight281.52 g/mol
Exact Mass279.95
IUPAC Nameethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate
SMILESCCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H7Cl3O3/c1-2-16-10(15)9(14)5-3-4-6(11)8(13)7(5)12/h3-4H,2H2,1H3
InChIKeyDCOHNTGUGSTQQL-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 67271823
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ethyl 2-(3-chloro-4-methylphenyl)-2-oxoacetate
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ethyl 2-(5-chloro-2-methoxyquinolin-6-yl)-2-oxoacetate
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methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
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ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
ethyl 2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetate
CID 117358575
ethyl 2-(2-methyl-4-methylsulfanylphenyl)-2-oxoacetate
CID 117349385
ethyl 2-(4-chloro-2,5-diethoxyphenyl)-2-oxoacetate
CID 82551579
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
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ethyl 2-(2,5-dichloro-3-methoxyphenyl)-2-oxoacetate
CID 117443637

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate?
The IUPAC name of ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate (CID 82550947) is ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate is CCOC(=O)C(=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate?
The InChIKey is DCOHNTGUGSTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3O3/c1-2-16-10(15)9(14)5-3-4-6(11)8(13)7(5)12/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate?
ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate has a molecular weight of 281.52 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate is sourced from PubChem (CID 82550947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).