CAS 938-96-5: 2-(4-hydroxyphenyl)propionic acid
Description:2-(4-Hydroxyphenyl)propionic acid, commonly known as ibuprofen, is a nonsteroidal anti-inflammatory drug (NSAID) widely used for its analgesic, antipyretic, and anti-inflammatory properties. It is characterized by its molecular formula, which includes a propionic acid moiety attached to a para-hydroxyphenyl group. This structure contributes to its ability to inhibit cyclooxygenase enzymes (COX-1 and COX-2), thereby reducing the synthesis of prostaglandins involved in pain and inflammation. Ibuprofen is typically a white to off-white crystalline powder, with moderate solubility in water and higher solubility in organic solvents. Its melting point is relatively low, allowing for easy formulation into various dosage forms, including tablets, capsules, and suspensions. The compound exhibits a pKa value that indicates its acidic nature, making it effective in various pH environments within the body. Additionally, ibuprofen has a well-established safety profile when used as directed, although it can cause gastrointestinal and cardiovascular side effects in some individuals, particularly with long-term use or at high doses.
Formula:C9H9O3
InChI:InChI=1S/C9H10O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6,10H,1H3,(H,11,12)
InChI key:InChIKey=ZHMMPVANGNPCBW-UHFFFAOYSA-N
SMILES:O=C(O)C(C1=CC=C(O)C=C1)C
- Synonyms:
- (2R)-2-(4-hydroxyphenyl)propanoate
- (2S)-2-(4-hydroxyphenyl)propanoate
- 2-(4-Hydroxyphenyl)propanoic acid
- 2-(p-Hydroxyphenyl)-propionic acid
- 4-Hydroxy-α-methylbenzeneacetic acid
- Benzeneacetic acid, 4-hydroxy-α-methyl-
- Hydratropic acid, p-hydroxy-
- Methyl 4-hydroxyphenylacetic acid
