5-methyl-1-benzofuran-2-carboxylic acid

C10H8O3 — CID 932007

IUPAC5-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKeyRNTYTQILDXWFLQ-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.44
Rot. Bonds1

About 5-methyl-1-benzofuran-2-carboxylic acid

5-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 932007) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-benzofuran-2-carboxylic acid
PubChem CID932007
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name5-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKeyRNTYTQILDXWFLQ-UHFFFAOYSA-N
XLogP2.44
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-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 5-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-methyl-1-benzofuran-2-carboxylic acid (CID 932007) is 5-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-methyl-1-benzofuran-2-carboxylic acid is Cc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is RNTYTQILDXWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12).
What are the key properties of 5-methyl-1-benzofuran-2-carboxylic acid?
5-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 932007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).