5,6-dimethyl-1-benzofuran-3-carboxylic acid

C11H10O3 — CID 75458261

IUPAC5,6-dimethyl-1-benzofuran-3-carboxylic acid
SMILESCc1cc2occ(C(=O)O)c2cc1C
InChIInChI=1S/C11H10O3/c1-6-3-8-9(11(12)13)5-14-10(8)4-7(6)2/h3-5H,1-2H3,(H,12,13)
InChIKeyKDMLAYXNCVXDOM-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.75
Rot. Bonds1

About 5,6-dimethyl-1-benzofuran-3-carboxylic acid

5,6-dimethyl-1-benzofuran-3-carboxylic acid (PubChem CID 75458261) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5,6-dimethyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-1-benzofuran-3-carboxylic acid
PubChem CID75458261
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name5,6-dimethyl-1-benzofuran-3-carboxylic acid
SMILESCc1cc2occ(C(=O)O)c2cc1C
InChIInChI=1S/C11H10O3/c1-6-3-8-9(11(12)13)5-14-10(8)4-7(6)2/h3-5H,1-2H3,(H,12,13)
InChIKeyKDMLAYXNCVXDOM-UHFFFAOYSA-N
XLogP2.75
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5,6-dimethyl-1-benzofuran-3-carboxylic acid (CID 75458261) is 5,6-dimethyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-1-benzofuran-3-carboxylic acid is Cc1cc2occ(C(=O)O)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-benzofuran-3-carboxylic acid?
The InChIKey is KDMLAYXNCVXDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-3-8-9(11(12)13)5-14-10(8)4-7(6)2/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5,6-dimethyl-1-benzofuran-3-carboxylic acid?
5,6-dimethyl-1-benzofuran-3-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 75458261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).