4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

C9H8O4 — CID 713937

IUPAC4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c1C(=O)CCC2
InChIInChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
InChIKeyFABBWECRHZNMDQ-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.50
Rot. Bonds1

About 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid (PubChem CID 713937) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
PubChem CID713937
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1coc2c1C(=O)CCC2
InChIInChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12)
InChIKeyFABBWECRHZNMDQ-UHFFFAOYSA-N
XLogP1.50
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-6,7-dihydro-5H-1-benzofuran-3-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

Related Compounds

3-Carboxy-4-Methyl-5-Propyl-2-Furanpropanoic Acid
CID 123979
1-Benzofuran-3-carboxylic acid
CID 595655
2-(4-Methoxyphenyl)furan-3,4-dicarboxylic acid
CID 2264893
2-Phenylfuran-3-carboxylic acid
CID 234849
6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-3-carboxylic acid
CID 797109
3-Methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
CID 938222
Curcolone
CID 5316208
4,5,6,7-Tetrahydro-1-benzofuran-4-one
CID 2733541
3-(Hydroxymethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-one
CID 10855844
4-[(2-Carboxyphenoxy)methyl]-2,5-dimethylfuran-3-carboxylic acid
CID 823651
3-(Hydroxymethyl)-6-methoxy-2-methyl-1-benzofuran-4,7-dione
CID 77050773
3-Carboxy-4-methyl-5-pentyl-2-furanpropionic acid
CID 194501

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The IUPAC name of 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid (CID 713937) is 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is O=C(O)c1coc2c1C(=O)CCC2.
What is the InChIKey of 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
The InChIKey is FABBWECRHZNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12).
What are the key properties of 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid?
4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 713937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).