4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid

C10H8O3S — CID 165461215

IUPAC4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1-c1ccsc1
InChIInChI=1S/C10H8O3S/c1-6-4-8(10(11)12)13-9(6)7-2-3-14-5-7/h2-5H,1H3,(H,11,12)
InChIKeyQCCZPPIGUFZASH-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid

4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid (PubChem CID 165461215) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
PubChem CID165461215
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1-c1ccsc1
InChIInChI=1S/C10H8O3S/c1-6-4-8(10(11)12)13-9(6)7-2-3-14-5-7/h2-5H,1H3,(H,11,12)
InChIKeyQCCZPPIGUFZASH-UHFFFAOYSA-N
XLogP3.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-thiophen-3-ylfuran-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 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid?
The IUPAC name of 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid (CID 165461215) is 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid.
What is the SMILES notation for 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid?
The canonical SMILES for 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid is Cc1cc(C(=O)O)oc1-c1ccsc1.
What is the InChIKey of 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid?
The InChIKey is QCCZPPIGUFZASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-6-4-8(10(11)12)13-9(6)7-2-3-14-5-7/h2-5H,1H3,(H,11,12).
What are the key properties of 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid?
4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-thiophen-3-ylfuran-2-carboxylic acid is sourced from PubChem (CID 165461215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).