5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid

C13H12O2S — CID 162540424

IUPAC5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cccc(C)c1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O2S/c1-8-4-3-5-9(2)12(8)10-6-7-11(16-10)13(14)15/h3-7H,1-2H3,(H,14,15)
InChIKeyOIKZRFRQYNLPMK-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.73
Rot. Bonds2

About 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid

5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid (PubChem CID 162540424) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
PubChem CID162540424
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
SMILESCc1cccc(C)c1-c1ccc(C(=O)O)s1
InChIInChI=1S/C13H12O2S/c1-8-4-3-5-9(2)12(8)10-6-7-11(16-10)13(14)15/h3-7H,1-2H3,(H,14,15)
InChIKeyOIKZRFRQYNLPMK-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,6-dimethylphenyl)thiophene-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-(2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid (CID 162540424) is 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid is Cc1cccc(C)c1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid?
The InChIKey is OIKZRFRQYNLPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-8-4-3-5-9(2)12(8)10-6-7-11(16-10)13(14)15/h3-7H,1-2H3,(H,14,15).
What are the key properties of 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid?
5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid has a molecular weight of 232.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 162540424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).