5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid

C14H14O4S — CID 79990152

IUPAC5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2C)c(OC)c1
InChIInChI=1S/C14H14O4S/c1-8-6-12(14(15)16)19-13(8)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyXJVVFTBYOSMBAU-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.44
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid

5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (PubChem CID 79990152) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
PubChem CID79990152
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(-c2sc(C(=O)O)cc2C)c(OC)c1
InChIInChI=1S/C14H14O4S/c1-8-6-12(14(15)16)19-13(8)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,15,16)
InChIKeyXJVVFTBYOSMBAU-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-dimethoxyphenyl)-4-methylthiophene-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-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid (CID 79990152) is 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is COc1ccc(-c2sc(C(=O)O)cc2C)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
The InChIKey is XJVVFTBYOSMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-8-6-12(14(15)16)19-13(8)10-5-4-9(17-2)7-11(10)18-3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid?
5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 79990152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).