CAS 749920-56-7

3-Chloro-5-methoxy-4-(1-methylethoxy)benzoic acid

Description:

3-Chloro-5-methoxy-4-(1-methylethoxy)benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chlorine atom, a methoxy group, and an isopropoxy group. The presence of the chlorine atom at the 3-position and the methoxy group at the 5-position contributes to its unique chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The isopropoxy group at the 4-position enhances its lipophilicity, which may influence its solubility and bioavailability. This compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity can be influenced by the functional groups present. Additionally, the presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. Overall, the structural features of 3-Chloro-5-methoxy-4-(1-methylethoxy)benzoic acid indicate its potential utility in synthetic organic chemistry and medicinal chemistry research.

Formula: C₁₁H₁₃ClO₄

InChI: InChI=1S/C11H13ClO4/c1-6(2)16-10-8(12)4-7(11(13)14)5-9(10)15-3/h4-6H,1-3H3,(H,13,14)

InChI key: InChIKey=SHWDMVBTBWPOON-UHFFFAOYSA-N

SMILES: O(C(C)C)C1=C(OC)C=C(C(O)=O)C=C1Cl

Synonyms:

• Benzoic acid, 3-chloro-5-methoxy-4-(1-methylethoxy)-
• 3-Chloro-5-methoxy-4-(propan-2-yloxy)benzoic acid
• 3-Chloro-4-isopropoxy-5-methoxy-benzoic acid
• 3-Chloro-4-isopropoxy-5-methoxybenzoic acid
• 3-Chloro-5-methoxy-4-(1-methylethoxy)benzoic acid