7-ethoxy-1-benzofuran-2-carboxylic acid

C11H10O4 — CID 736202

IUPAC7-ethoxy-1-benzofuran-2-carboxylic acid
SMILESCCOc1cccc2cc(C(=O)O)oc12
InChIInChI=1S/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyDQJVZIUEXPTEKX-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.53
Rot. Bonds3

About 7-ethoxy-1-benzofuran-2-carboxylic acid

7-ethoxy-1-benzofuran-2-carboxylic acid (PubChem CID 736202) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-ethoxy-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-ethoxy-1-benzofuran-2-carboxylic acid
PubChem CID736202
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name7-ethoxy-1-benzofuran-2-carboxylic acid
SMILESCCOc1cccc2cc(C(=O)O)oc12
InChIInChI=1S/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyDQJVZIUEXPTEKX-UHFFFAOYSA-N
XLogP2.53
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-ethoxy-1-benzofuran-2-carboxylic acid 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 7-ethoxy-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-ethoxy-1-benzofuran-2-carboxylic acid (CID 736202) is 7-ethoxy-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-ethoxy-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-ethoxy-1-benzofuran-2-carboxylic acid is CCOc1cccc2cc(C(=O)O)oc12.
What is the InChIKey of 7-ethoxy-1-benzofuran-2-carboxylic acid?
The InChIKey is DQJVZIUEXPTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 7-ethoxy-1-benzofuran-2-carboxylic acid?
7-ethoxy-1-benzofuran-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 736202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).