2-hydroxy-4-thiophen-2-ylbenzoic acid

C11H8O3S — CID 53224804

IUPAC2-hydroxy-4-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccs2)cc1O
InChIInChI=1S/C11H8O3S/c12-9-6-7(10-2-1-5-15-10)3-4-8(9)11(13)14/h1-6,12H,(H,13,14)
InChIKeyKJPVYHFBHZUOOV-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.82
Rot. Bonds2

About 2-hydroxy-4-thiophen-2-ylbenzoic acid

2-hydroxy-4-thiophen-2-ylbenzoic acid (PubChem CID 53224804) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-hydroxy-4-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-thiophen-2-ylbenzoic acid
PubChem CID53224804
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name2-hydroxy-4-thiophen-2-ylbenzoic acid
SMILESO=C(O)c1ccc(-c2cccs2)cc1O
InChIInChI=1S/C11H8O3S/c12-9-6-7(10-2-1-5-15-10)3-4-8(9)11(13)14/h1-6,12H,(H,13,14)
InChIKeyKJPVYHFBHZUOOV-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-thiophen-2-ylbenzoic 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 2-hydroxy-4-thiophen-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-4-thiophen-2-ylbenzoic acid (CID 53224804) is 2-hydroxy-4-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-4-thiophen-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-4-thiophen-2-ylbenzoic acid is O=C(O)c1ccc(-c2cccs2)cc1O.
What is the InChIKey of 2-hydroxy-4-thiophen-2-ylbenzoic acid?
The InChIKey is KJPVYHFBHZUOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-9-6-7(10-2-1-5-15-10)3-4-8(9)11(13)14/h1-6,12H,(H,13,14).
What are the key properties of 2-hydroxy-4-thiophen-2-ylbenzoic acid?
2-hydroxy-4-thiophen-2-ylbenzoic acid has a molecular weight of 220.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 53224804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).