4-methoxy-2-methylthiophene-3-carboxylic acid

C7H8O3S — CID 23361773

IUPAC4-methoxy-2-methylthiophene-3-carboxylic acid
SMILESCOc1csc(C)c1C(=O)O
InChIInChI=1S/C7H8O3S/c1-4-6(7(8)9)5(10-2)3-11-4/h3H,1-2H3,(H,8,9)
InChIKeyRFTCWUMESAVODJ-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.76
Rot. Bonds2

About 4-methoxy-2-methylthiophene-3-carboxylic acid

4-methoxy-2-methylthiophene-3-carboxylic acid (PubChem CID 23361773) has the molecular formula C7H8O3S and a molecular weight of 172.20 g/mol. Its IUPAC name is 4-methoxy-2-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methylthiophene-3-carboxylic acid
PubChem CID23361773
Molecular FormulaC7H8O3S
Molecular Weight172.20 g/mol
Exact Mass172.02
IUPAC Name4-methoxy-2-methylthiophene-3-carboxylic acid
SMILESCOc1csc(C)c1C(=O)O
InChIInChI=1S/C7H8O3S/c1-4-6(7(8)9)5(10-2)3-11-4/h3H,1-2H3,(H,8,9)
InChIKeyRFTCWUMESAVODJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methylthiophene-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

Related Compounds

2-methyl-4-sulfamoylthiophene-3-carboxylic acid
CID 159930645
3-methoxy-5-methylphthalic acid
CID 12908895
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
2-(3,4-dimethoxythiophen-2-yl)acetic acid
CID 96761580
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
methyl 4-[(4-methoxycarbonyl-5-methylthiophen-3-yl)disulfanyl]-2-methylthiophene-3-carboxylate
CID 16640276
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
2-(carboxymethyl)-6-methoxy-4-methylbenzoic acid
CID 13308736
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylthiophene-3-carboxylic acid?
The IUPAC name of 4-methoxy-2-methylthiophene-3-carboxylic acid (CID 23361773) is 4-methoxy-2-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methylthiophene-3-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methylthiophene-3-carboxylic acid is COc1csc(C)c1C(=O)O.
What is the InChIKey of 4-methoxy-2-methylthiophene-3-carboxylic acid?
The InChIKey is RFTCWUMESAVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c1-4-6(7(8)9)5(10-2)3-11-4/h3H,1-2H3,(H,8,9).
What are the key properties of 4-methoxy-2-methylthiophene-3-carboxylic acid?
4-methoxy-2-methylthiophene-3-carboxylic acid has a molecular weight of 172.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 23361773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).