5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid

C9H12O3S — CID 141422274

IUPAC5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid
SMILESCCC(O)c1scc(C(=O)O)c1C
InChIInChI=1S/C9H12O3S/c1-3-7(10)8-5(2)6(4-13-8)9(11)12/h4,7,10H,3H2,1-2H3,(H,11,12)
InChIKeyVBUULQKJJIFION-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.20
Rot. Bonds3

About 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid

5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid (PubChem CID 141422274) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid
PubChem CID141422274
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid
SMILESCCC(O)c1scc(C(=O)O)c1C
InChIInChI=1S/C9H12O3S/c1-3-7(10)8-5(2)6(4-13-8)9(11)12/h4,7,10H,3H2,1-2H3,(H,11,12)
InChIKeyVBUULQKJJIFION-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(1-hydroxypropyl)-4-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

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid?
The IUPAC name of 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid (CID 141422274) is 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid?
The canonical SMILES for 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid is CCC(O)c1scc(C(=O)O)c1C.
What is the InChIKey of 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid?
The InChIKey is VBUULQKJJIFION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-3-7(10)8-5(2)6(4-13-8)9(11)12/h4,7,10H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid?
5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropyl)-4-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 141422274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).