6-hydroxy-1-benzofuran-5-carboxylic acid

C9H6O4 — CID 83681607

IUPAC6-hydroxy-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2ccoc2cc1O
InChIInChI=1S/C9H6O4/c10-7-4-8-5(1-2-13-8)3-6(7)9(11)12/h1-4,10H,(H,11,12)
InChIKeyGZHZISOBXWZNFU-UHFFFAOYSA-N
MW178.14 g/mol
LogP1.84
Rot. Bonds1

About 6-hydroxy-1-benzofuran-5-carboxylic acid

6-hydroxy-1-benzofuran-5-carboxylic acid (PubChem CID 83681607) has the molecular formula C9H6O4 and a molecular weight of 178.14 g/mol. Its IUPAC name is 6-hydroxy-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-1-benzofuran-5-carboxylic acid
PubChem CID83681607
Molecular FormulaC9H6O4
Molecular Weight178.14 g/mol
Exact Mass178.03
IUPAC Name6-hydroxy-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2ccoc2cc1O
InChIInChI=1S/C9H6O4/c10-7-4-8-5(1-2-13-8)3-6(7)9(11)12/h1-4,10H,(H,11,12)
InChIKeyGZHZISOBXWZNFU-UHFFFAOYSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-hydroxy-1-benzofuran-5-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

2-(6-fluoro-1-benzofuran-5-yl)-2-oxoacetic acid
CID 117297031
CID 69256301
CID 69256301
CID 172784976
CID 172784976
1-(6-fluoro-1-benzofuran-5-yl)ethanone
CID 117277685
3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
methyl 3-(6-hydroxy-1-benzofuran-5-yl)propanoate
CID 15391031
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
5-(1-benzofuran-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82387639
1-benzofuran-5-ol
CID 11651159
CID 59994174
CID 59994174
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-benzofuran-5-carboxylic acid?
The IUPAC name of 6-hydroxy-1-benzofuran-5-carboxylic acid (CID 83681607) is 6-hydroxy-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-1-benzofuran-5-carboxylic acid is O=C(O)c1cc2ccoc2cc1O.
What is the InChIKey of 6-hydroxy-1-benzofuran-5-carboxylic acid?
The InChIKey is GZHZISOBXWZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O4/c10-7-4-8-5(1-2-13-8)3-6(7)9(11)12/h1-4,10H,(H,11,12).
What are the key properties of 6-hydroxy-1-benzofuran-5-carboxylic acid?
6-hydroxy-1-benzofuran-5-carboxylic acid has a molecular weight of 178.14 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 83681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).