3-phenylthiophene-2-carboxylic acid

C11H8O2S — CID 2517625

IUPAC3-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccccc1
InChIInChI=1S/C11H8O2S/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyKWWGBNRBZMJKPA-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.11
Rot. Bonds2

About 3-phenylthiophene-2-carboxylic acid

3-phenylthiophene-2-carboxylic acid (PubChem CID 2517625) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-phenylthiophene-2-carboxylic acid
PubChem CID2517625
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name3-phenylthiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccccc1
InChIInChI=1S/C11H8O2S/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeyKWWGBNRBZMJKPA-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenylthiophene-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 3-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-phenylthiophene-2-carboxylic acid (CID 2517625) is 3-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-phenylthiophene-2-carboxylic acid is O=C(O)c1sccc1-c1ccccc1.
What is the InChIKey of 3-phenylthiophene-2-carboxylic acid?
The InChIKey is KWWGBNRBZMJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-11(13)10-9(6-7-14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13).
What are the key properties of 3-phenylthiophene-2-carboxylic acid?
3-phenylthiophene-2-carboxylic acid has a molecular weight of 204.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 2517625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).