5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid

C10H14O3S — CID 63380115

IUPAC5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid
SMILESCC(C)COCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14O3S/c1-7(2)5-13-6-8-3-4-9(14-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyZUVAKOIFVFXJEP-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.62
Rot. Bonds5

About 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid

5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid (PubChem CID 63380115) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid
PubChem CID63380115
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid
SMILESCC(C)COCc1ccc(C(=O)O)s1
InChIInChI=1S/C10H14O3S/c1-7(2)5-13-6-8-3-4-9(14-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyZUVAKOIFVFXJEP-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropoxymethyl)thiophene-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-methylpropoxymethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid (CID 63380115) is 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid is CC(C)COCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid?
The InChIKey is ZUVAKOIFVFXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-7(2)5-13-6-8-3-4-9(14-8)10(11)12/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid?
5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxymethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 63380115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).