ethyl 5-chloro-1-benzofuran-3-carboxylate

C11H9ClO3 — CID 53342910

IUPACethyl 5-chloro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Cl)cc12
InChIInChI=1S/C11H9ClO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6H,2H2,1H3
InChIKeyCQHDKISUMTVOSI-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.26
Rot. Bonds2

About ethyl 5-chloro-1-benzofuran-3-carboxylate

ethyl 5-chloro-1-benzofuran-3-carboxylate (PubChem CID 53342910) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is ethyl 5-chloro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-1-benzofuran-3-carboxylate
PubChem CID53342910
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Nameethyl 5-chloro-1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccc(Cl)cc12
InChIInChI=1S/C11H9ClO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6H,2H2,1H3
InChIKeyCQHDKISUMTVOSI-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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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 5-chloro-1-benzofuran-3-carboxylate (CID 53342910) is ethyl 5-chloro-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-1-benzofuran-3-carboxylate is CCOC(=O)c1coc2ccc(Cl)cc12.
What is the InChIKey of ethyl 5-chloro-1-benzofuran-3-carboxylate?
The InChIKey is CQHDKISUMTVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-chloro-1-benzofuran-3-carboxylate?
ethyl 5-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 5-chloro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 53342910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).