4-hydroxy-5-phenylthiophene-3-carboxylic acid

C11H8O3S — CID 154133340

IUPAC4-hydroxy-5-phenylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2)c1O
InChIInChI=1S/C11H8O3S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChIKeyRTSQTHXAGCRMNU-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.82
Rot. Bonds2

About 4-hydroxy-5-phenylthiophene-3-carboxylic acid

4-hydroxy-5-phenylthiophene-3-carboxylic acid (PubChem CID 154133340) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-hydroxy-5-phenylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-5-phenylthiophene-3-carboxylic acid
PubChem CID154133340
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name4-hydroxy-5-phenylthiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2)c1O
InChIInChI=1S/C11H8O3S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)
InChIKeyRTSQTHXAGCRMNU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-phenylthiophene-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

Related Compounds

2-phenylthiophene-3-carboxylate
CID 6949770
2-(4-hydroxy-2-phenylthiophen-3-yl)acetic acid
CID 69116902
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
benzene-1,2-diol;phthalic acid
CID 160861167
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
chlorophosphane;2-hydroxybenzoic acid
CID 145286030
methyl 2,4-diphenylthiophene-3-carboxylate
CID 12733358
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
bis(1,1'-biphenyl);carbonate
CID 23514328
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenylthiophene-3-carboxylic acid?
The IUPAC name of 4-hydroxy-5-phenylthiophene-3-carboxylic acid (CID 154133340) is 4-hydroxy-5-phenylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-5-phenylthiophene-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-5-phenylthiophene-3-carboxylic acid is O=C(O)c1csc(-c2ccccc2)c1O.
What is the InChIKey of 4-hydroxy-5-phenylthiophene-3-carboxylic acid?
The InChIKey is RTSQTHXAGCRMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-9-8(11(13)14)6-15-10(9)7-4-2-1-3-5-7/h1-6,12H,(H,13,14).
What are the key properties of 4-hydroxy-5-phenylthiophene-3-carboxylic acid?
4-hydroxy-5-phenylthiophene-3-carboxylic 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 4-hydroxy-5-phenylthiophene-3-carboxylic acid is sourced from PubChem (CID 154133340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).