4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid

C13H12O2S — CID 78973991

IUPAC4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccccc1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C13H12O2S/c1-8-5-3-4-6-10(8)12-9(2)7-11(16-12)13(14)15/h3-7H,1-2H3,(H,14,15)
InChIKeyIBJZWQWVFNCPIV-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.73
Rot. Bonds2

About 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid

4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 78973991) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
PubChem CID78973991
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1ccccc1-c1sc(C(=O)O)cc1C
InChIInChI=1S/C13H12O2S/c1-8-5-3-4-6-10(8)12-9(2)7-11(16-12)13(14)15/h3-7H,1-2H3,(H,14,15)
InChIKeyIBJZWQWVFNCPIV-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

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Related Compounds

5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78973993
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 79990152
5-(2,6-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 116810851
5-(1,5-dimethylpyrazol-4-yl)-4-methylthiophene-2-carboxylic acid
CID 79997238
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
4-methyl-5-[2-(oxolan-3-ylmethoxy)phenyl]thiophene-2-carboxylic acid
CID 167945928
5-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78943773
5-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78973945
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78917575
1-[5-(3-fluoro-2-methylphenyl)-4-methylthiophen-2-yl]ethanone
CID 115002911
5-(2-methoxy-4,6-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 106681054
5-(4-methoxy-3,5-dimethylphenyl)-4-methylthiophene-2-carboxylic acid
CID 83068189

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid (CID 78973991) is 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid is Cc1ccccc1-c1sc(C(=O)O)cc1C.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is IBJZWQWVFNCPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-8-5-3-4-6-10(8)12-9(2)7-11(16-12)13(14)15/h3-7H,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid?
4-methyl-5-(2-methylphenyl)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 4-methyl-5-(2-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 78973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).