Description

4-(4-Ethoxyphenyl)cyclohexanone (CAS No. 163671-48-5) is a high-purity organic compound with the molecular formula C₁₄H₁₈O₂. This cyclohexanone derivative features an ethoxyphenyl substituent at the 4-position, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is characterized by its white to off-white crystalline appearance and is supplied with a guaranteed purity of ≥98% (GC). It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane, but exhibits limited solubility in water. Proper storage conditions (2-8°C in a tightly sealed container under inert atmosphere) ensure long-term stability. Ideal for researchers requiring precise structural motifs in complex molecule synthesis.

Properties

• CAS Number: 163671-48-5
• Complexity: 219
• IUPAC Name: 4-(4-ethoxyphenyl)cyclohexanone
• InChI: InChI=1S/C14H18O2/c1-2-16-14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h5-6,9-11H,2-4,7-8H2,1H3
• InChI Key: VBGMDGDDOADTCY-UHFFFAOYSA-N
• Exact Mass: 218.130679813
• Molecular Formula: C14H18O2
• Molecular Weight: 218.29
• SMILES: CCOC1=CC=C(C=C1)C2CCC(=O)CC2
• Topological: 26.3
• Monoisotopic Mass: 218.130679813
• Synonyms: 4-(4-ethoxyphenyl)cyclohexanone, 163671-48-5, Cyclohexanone, 4-(4-ethoxyphenyl)- (9CI), 4-(4-ETHOXYPHENYL)CYCLOHEXAN-1-ONE, SCHEMBL4602856, 4-(4-ethoxyphenyl) cyclohexanone, 4-(4-ethoxyphenyl)-cyclohexanone, VBGMDGDDOADTCY-UHFFFAOYSA-N, Cyclohexanone, 4-(4-ethoxyphenyl)-, MFCD21885776, AKOS019066852, Cyclohexanone,4-(4-ethoxyphenyl)-(9ci), DS-18803, DB-286420, CS-0160973, C73153

Application

4-(4-Ethoxyphenyl)cyclohexanone serves as a key building block in the synthesis of liquid crystal materials due to its rigid cyclohexyl core and polar ketone functionality. Pharmaceutical researchers utilize this compound as an intermediate in the development of estrogen receptor modulators and other bioactive molecules. Its structural features make it valuable for studying structure-activity relationships in medicinal chemistry programs.

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