2-(5-methylthiophene-2-carbonyl)benzoic acid

C13H10O3S — CID 3803726

IUPAC2-(5-methylthiophene-2-carbonyl)benzoic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)s1
InChIInChI=1S/C13H10O3S/c1-8-6-7-11(17-8)12(14)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyIDTRGLSKMOUSHE-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-methylthiophene-2-carbonyl)benzoic acid

2-(5-methylthiophene-2-carbonyl)benzoic acid (PubChem CID 3803726) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(5-methylthiophene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(5-methylthiophene-2-carbonyl)benzoic acid
PubChem CID3803726
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name2-(5-methylthiophene-2-carbonyl)benzoic acid
SMILESCc1ccc(C(=O)c2ccccc2C(=O)O)s1
InChIInChI=1S/C13H10O3S/c1-8-6-7-11(17-8)12(14)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3,(H,15,16)
InChIKeyIDTRGLSKMOUSHE-UHFFFAOYSA-N
XLogP2.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methylthiophene-2-carbonyl)benzoic 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

Suprofen
CID 5359
Tiaprofenic Acid
CID 5468
Benzo(b)thiophene-2-carboxylic acid
CID 95864
4H,5H-naphtho(1,2-b)thiophene-2-carboxylic acid
CID 695450
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
Indralin
CID 6366726
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
3-[2-(trans-4-Methylcyclohexyl)phenyl]-5-phenylthiophene-2-carboxylic acid
CID 46829306

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophene-2-carbonyl)benzoic acid?
The IUPAC name of 2-(5-methylthiophene-2-carbonyl)benzoic acid (CID 3803726) is 2-(5-methylthiophene-2-carbonyl)benzoic acid.
What is the SMILES notation for 2-(5-methylthiophene-2-carbonyl)benzoic acid?
The canonical SMILES for 2-(5-methylthiophene-2-carbonyl)benzoic acid is Cc1ccc(C(=O)c2ccccc2C(=O)O)s1.
What is the InChIKey of 2-(5-methylthiophene-2-carbonyl)benzoic acid?
The InChIKey is IDTRGLSKMOUSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c1-8-6-7-11(17-8)12(14)9-4-2-3-5-10(9)13(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(5-methylthiophene-2-carbonyl)benzoic acid?
2-(5-methylthiophene-2-carbonyl)benzoic acid has a molecular weight of 246.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophene-2-carbonyl)benzoic acid is sourced from PubChem (CID 3803726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).