ethyl 5-bromo-1-benzofuran-2-carboxylate

C11H9BrO3 — CID 735184

IUPACethyl 5-bromo-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChIKeyXLJWAHXKBCDQNP-UHFFFAOYSA-N
MW269.09 g/mol
LogP3.37
Rot. Bonds2

About ethyl 5-bromo-1-benzofuran-2-carboxylate

ethyl 5-bromo-1-benzofuran-2-carboxylate (PubChem CID 735184) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is ethyl 5-bromo-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-1-benzofuran-2-carboxylate
PubChem CID735184
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Nameethyl 5-bromo-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3
InChIKeyXLJWAHXKBCDQNP-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-bromo-1-benzofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 5-bromo-1-benzofuran-2-carboxylate (CID 735184) is ethyl 5-bromo-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 5-bromo-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 5-bromo-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of ethyl 5-bromo-1-benzofuran-2-carboxylate?
The InChIKey is XLJWAHXKBCDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-bromo-1-benzofuran-2-carboxylate?
ethyl 5-bromo-1-benzofuran-2-carboxylate has a molecular weight of 269.09 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-1-benzofuran-2-carboxylate is sourced from PubChem (CID 735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).