3-ethoxycarbonylfuran-2-carboxylic acid

C8H8O5 — CID 135185947

IUPAC3-ethoxycarbonylfuran-2-carboxylic acid
SMILESCCOC(=O)c1ccoc1C(=O)O
InChIInChI=1S/C8H8O5/c1-2-12-8(11)5-3-4-13-6(5)7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyBXJKEYMTWITHPC-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.15
Rot. Bonds3

About 3-ethoxycarbonylfuran-2-carboxylic acid

3-ethoxycarbonylfuran-2-carboxylic acid (PubChem CID 135185947) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is 3-ethoxycarbonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxycarbonylfuran-2-carboxylic acid
PubChem CID135185947
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name3-ethoxycarbonylfuran-2-carboxylic acid
SMILESCCOC(=O)c1ccoc1C(=O)O
InChIInChI=1S/C8H8O5/c1-2-12-8(11)5-3-4-13-6(5)7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyBXJKEYMTWITHPC-UHFFFAOYSA-N
XLogP1.15
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxycarbonylfuran-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 3-ethoxycarbonylfuran-2-carboxylic acid?
The IUPAC name of 3-ethoxycarbonylfuran-2-carboxylic acid (CID 135185947) is 3-ethoxycarbonylfuran-2-carboxylic acid.
What is the SMILES notation for 3-ethoxycarbonylfuran-2-carboxylic acid?
The canonical SMILES for 3-ethoxycarbonylfuran-2-carboxylic acid is CCOC(=O)c1ccoc1C(=O)O.
What is the InChIKey of 3-ethoxycarbonylfuran-2-carboxylic acid?
The InChIKey is BXJKEYMTWITHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-2-12-8(11)5-3-4-13-6(5)7(9)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-ethoxycarbonylfuran-2-carboxylic acid?
3-ethoxycarbonylfuran-2-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycarbonylfuran-2-carboxylic acid is sourced from PubChem (CID 135185947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).