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

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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-(Methylthio)benzoic acid
CID 19498
4-(Methylthio)benzoic acid
CID 83230
3-(Methylthio)benzoic Acid
CID 220329
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
Indralin
CID 6366726
Dibenzothiophene-4-carboxylic acid
CID 29886
2-(Phenylthio)benzoic acid
CID 15210

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).