ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate

C10H8ClIO3 — CID 139220418

IUPACethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H8ClIO3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3
InChIKeyDMEOGWPNVGJPIZ-UHFFFAOYSA-N
MW338.53 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate

ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate (PubChem CID 139220418) has the molecular formula C10H8ClIO3 and a molecular weight of 338.53 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
PubChem CID139220418
Molecular FormulaC10H8ClIO3
Molecular Weight338.53 g/mol
Exact Mass337.92
IUPAC Nameethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C10H8ClIO3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3
InChIKeyDMEOGWPNVGJPIZ-UHFFFAOYSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-chloro-2-(2-ethoxy-2-oxoacetyl)benzoate
CID 146010455
ethyl 2-[5-chloro-2-(3-methylbutoxy)phenyl]-2-oxoacetate
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ethyl 2-[5-(4-chlorophenyl)-2-ethylphenyl]-2-oxoacetate
CID 66691355
diethyl 4-chlorobenzene-1,2-dicarboxylate
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ethyl N-(5-chloro-2-iodophenyl)carbamate
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ethyl 2-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]-2-oxoacetate
CID 117439111
ethyl 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetate
CID 70984214
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ethyl 4-(5-chloro-2-methylphenyl)-2,4-dioxobutanoate
CID 90277033
ethyl 2-oxo-2-(2,3,4-trichlorophenyl)acetate
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CID 105349729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate (CID 139220418) is ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate is CCOC(=O)C(=O)c1cc(Cl)ccc1I.
What is the InChIKey of ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate?
The InChIKey is DMEOGWPNVGJPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClIO3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate?
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate has a molecular weight of 338.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate is sourced from PubChem (CID 139220418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).