ethyl 1-benzofuran-3-carboxylate

C11H10O3 — CID 13024731

IUPACethyl 1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccccc12
InChIInChI=1S/C11H10O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyJNLHHFVLQDYFFB-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.61
Rot. Bonds2

About ethyl 1-benzofuran-3-carboxylate

ethyl 1-benzofuran-3-carboxylate (PubChem CID 13024731) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzofuran-3-carboxylate
PubChem CID13024731
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Nameethyl 1-benzofuran-3-carboxylate
SMILESCCOC(=O)c1coc2ccccc12
InChIInChI=1S/C11H10O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyJNLHHFVLQDYFFB-UHFFFAOYSA-N
XLogP2.61
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzofuran-3-carboxylate?
The IUPAC name of ethyl 1-benzofuran-3-carboxylate (CID 13024731) is ethyl 1-benzofuran-3-carboxylate.
What is the SMILES notation for ethyl 1-benzofuran-3-carboxylate?
The canonical SMILES for ethyl 1-benzofuran-3-carboxylate is CCOC(=O)c1coc2ccccc12.
What is the InChIKey of ethyl 1-benzofuran-3-carboxylate?
The InChIKey is JNLHHFVLQDYFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-13-11(12)9-7-14-10-6-4-3-5-8(9)10/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-benzofuran-3-carboxylate?
ethyl 1-benzofuran-3-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzofuran-3-carboxylate is sourced from PubChem (CID 13024731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).