CAS 951891-97-7

2,4,5-Trimethoxy-ζ-oxobenzeneheptanoic acid

Description:

2,4,5-Trimethoxy-ζ-oxobenzeneheptanoic acid, with the CAS number 951891-97-7, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple methoxy groups and a carboxylic acid functional group. This compound features a benzene ring substituted at the 2, 4, and 5 positions with methoxy groups, contributing to its unique chemical properties and potential biological activity. The presence of the heptanoic acid chain indicates that it has a relatively long aliphatic tail, which can influence its solubility and interaction with biological membranes. The methoxy groups enhance the compound's lipophilicity, potentially affecting its pharmacokinetics and bioavailability. Additionally, the oxo group suggests the presence of a carbonyl functionality, which may play a role in reactivity and interactions with other molecules. Overall, 2,4,5-Trimethoxy-ζ-oxobenzeneheptanoic acid is of interest in various fields, including medicinal chemistry and materials science, due to its structural features and potential applications.

Formula: C₁₆H₂₂O₆

InChI: InChI=1S/C16H22O6/c1-20-13-10-15(22-3)14(21-2)9-11(13)12(17)7-5-4-6-8-16(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)

InChI key: InChIKey=HXVTVJCUDMBSKI-UHFFFAOYSA-N

SMILES: C(CCCCCC(O)=O)(=O)C1=C(OC)C=C(OC)C(OC)=C1

Synonyms:

• Benzeneheptanoic acid, 2,4,5-trimethoxy-ζ-oxo-
• 2,4,5-Trimethoxy-ζ-oxobenzeneheptanoic acid