ethyl 5,7-dichloro-1-benzofuran-2-carboxylate

C11H8Cl2O3 — CID 45104336

IUPACethyl 5,7-dichloro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C11H8Cl2O3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3
InChIKeyLEUQFLHZWSQDTC-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.92
Rot. Bonds2

About ethyl 5,7-dichloro-1-benzofuran-2-carboxylate

ethyl 5,7-dichloro-1-benzofuran-2-carboxylate (PubChem CID 45104336) has the molecular formula C11H8Cl2O3 and a molecular weight of 259.09 g/mol. Its IUPAC name is ethyl 5,7-dichloro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-dichloro-1-benzofuran-2-carboxylate
PubChem CID45104336
Molecular FormulaC11H8Cl2O3
Molecular Weight259.09 g/mol
Exact Mass257.99
IUPAC Nameethyl 5,7-dichloro-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C11H8Cl2O3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3
InChIKeyLEUQFLHZWSQDTC-UHFFFAOYSA-N
XLogP3.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-dichloro-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5,7-dichloro-1-benzofuran-2-carboxylate (CID 45104336) is ethyl 5,7-dichloro-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5,7-dichloro-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5,7-dichloro-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of ethyl 5,7-dichloro-1-benzofuran-2-carboxylate?
The InChIKey is LEUQFLHZWSQDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O3/c1-2-15-11(14)9-4-6-3-7(12)5-8(13)10(6)16-9/h3-5H,2H2,1H3.
What are the key properties of ethyl 5,7-dichloro-1-benzofuran-2-carboxylate?
ethyl 5,7-dichloro-1-benzofuran-2-carboxylate has a molecular weight of 259.09 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-dichloro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 45104336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).