ethyl 2-chloro-1-benzofuran-3-carboxylate

C11H9ClO3 — CID 151284906

IUPACethyl 2-chloro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(Cl)oc2ccccc12
InChIInChI=1S/C11H9ClO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2H2,1H3
InChIKeyNZEIMVMAOYYWOL-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.26
Rot. Bonds2

About ethyl 2-chloro-1-benzofuran-3-carboxylate

ethyl 2-chloro-1-benzofuran-3-carboxylate (PubChem CID 151284906) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is ethyl 2-chloro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-1-benzofuran-3-carboxylate
PubChem CID151284906
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Nameethyl 2-chloro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1c(Cl)oc2ccccc12
InChIInChI=1S/C11H9ClO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2H2,1H3
InChIKeyNZEIMVMAOYYWOL-UHFFFAOYSA-N
XLogP3.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(chloromethyl)-4-oxochromene-3-carboxylate
CID 154715605
2-chloro-1-benzofuran-3-carboxylic acid
CID 83818774
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-but-3-enyl-1-benzofuran-3-carboxylate
CID 16742342
ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
ethyl 2-(2-methylphenyl)-4-oxochromene-3-carboxylate
CID 154714903
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
ethyl 3-ethyl-4-oxochromene-2-carboxylate
CID 142682858
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 2-chloro-1-benzofuran-3-carboxylate (CID 151284906) is ethyl 2-chloro-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-1-benzofuran-3-carboxylate is CCOC(=O)c1c(Cl)oc2ccccc12.
What is the InChIKey of ethyl 2-chloro-1-benzofuran-3-carboxylate?
The InChIKey is NZEIMVMAOYYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-chloro-1-benzofuran-3-carboxylate?
ethyl 2-chloro-1-benzofuran-3-carboxylate has a molecular weight of 224.64 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 151284906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).