CAS 1255717-24-8

1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1)

Description:

1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1) is a chemical compound characterized by its unique structure, which includes a cyclohexanedione core substituted with a 3-methoxyphenyl group. This compound typically exists as a hydrate, indicating the presence of water molecules associated with its structure. The presence of the methoxy group enhances its solubility in organic solvents and may influence its reactivity and interaction with biological systems. The compound is likely to exhibit properties typical of diketones, such as the ability to undergo tautomerization and participate in various chemical reactions, including condensation and oxidation. Its potential applications may span across fields such as pharmaceuticals, where it could serve as an intermediate in the synthesis of biologically active compounds. Additionally, the specific arrangement of functional groups may impart unique optical or electronic properties, making it of interest in materials science. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₃H₁₄O₃·H₂O

InChI: InChI=1S/C13H14O3.H2O/c1-16-13-4-2-3-9(7-13)10-5-11(14)8-12(15)6-10;/h2-4,7,10H,5-6,8H2,1H3;1H2

InChI key: InChIKey=VZKCVPJBIRYSNF-UHFFFAOYSA-N

SMILES: O(C)C=1C=C(C=CC1)C2CC(=O)CC(=O)C2.O

Synonyms:

• 1,3-Cyclohexanedione, 5-(3-methoxyphenyl)-, hydrate (1:1)