structure of 3-(tetrahydro-2H-pyran-4-yl)benzoic acid

3-(tetrahydro-2H-pyran-4-yl)benzoic acid

CAS No.: 1000016-93-2
M. Wt: 206.23800
M. Fa: C12H14O3
InChI Key: RIOUZDXMFBINOG-UHFFFAOYSA-N

Names and Identifiers of 1000016-93-2

CAS Number

1000016-93-2

EC Number

853-390-7

IUPAC Name

3-(oxan-4-yl)benzoic acid

InChI

InChI=1S/C12H14O3/c13-12(14)11-3-1-2-10(8-11)9-4-6-15-7-5-9/h1-3,8-9H,4-7H2,(H,13,14)

InChIKey

RIOUZDXMFBINOG-UHFFFAOYSA-N

Canonical SMILES

C1COCCC1C2=CC(=CC=C2)C(=O)O

Physical and chemical properties of 1000016-93-2

Exact Mass

206.09400

LogP

2.27880

Molecular Formula

C12H14O3

Molecular Weight

206.23800

PSA

46.53000

Safety Information of 1000016-93-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000016-93-2

3-(Tetrahydro-2H-pyran-4-yl)benzoic acid has several notable applications:

  • Pharmaceuticals: Its derivatives may be explored for their potential therapeutic effects, particularly in anti-infective and anti-inflammatory drugs.
  • Chemical Intermediates: It serves as an important intermediate in the synthesis of more complex organic compounds.
  • Agricultural Chemicals: The compound may find use in developing agrochemicals due to its biological activity against pests and pathogens.

Interaction Studies of 1000016-93-2

Studies on the interactions of 3-(tetrahydro-2H-pyran-4-yl)benzoic acid with various biological targets are essential for understanding its mechanism of action:

  • Protein Binding Studies: Investigating how this compound binds to proteins can provide insights into its pharmacokinetics and potential therapeutic effects.
  • Enzyme Inhibition: Understanding whether it inhibits specific enzymes can help elucidate its role in biological pathways and inform drug development strategies.

Biological Activity of 1000016-93-2

Research indicates that 3-(tetrahydro-2H-pyran-4-yl)benzoic acid exhibits various biological activities, including:

  • Antimicrobial Activity: Some derivatives of benzoic acid have demonstrated antimicrobial properties, suggesting potential applications in treating infections.
  • Anti-inflammatory Effects: Compounds with similar structures have been studied for their anti-inflammatory properties, indicating that this compound may also possess such activity.
  • Analgesic Properties: There is evidence that certain benzoic acid derivatives can act as analgesics, providing pain relief in various contexts.