Ibuprofen (CAS 15687-27-1)

Ibuprofen (CAS 15687-27-1) is a chemical compound registered under number CAS 15687-27-1, with the molecular formula C₁₃H₁₈O₂, and a molar mass of 206.28 g/mol.

The molecule contains 33 atoms connected by 33 chemical bonds. The full systematic IUPAC name of this compound is 2-[4-(2-methylpropyl)phenyl]propanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 3.5 (positive value, a lipophilic compound), polar surface area PSA = 37.3 Ų, 1 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Signal word: Danger

H302 — Harmful if swallowed

H360 — May damage fertility or the unborn child

H362 — May cause harm to breast-fed children

H371 — May cause damage to organs

H373 — May cause damage to organs through prolonged or repeated exposure

H411 — Toxic to aquatic life with long lasting effects

• 📊 PubChem CID 3672 — NIH
• 🔬 NIST WebBook — spectroscopy
• 💊 ChEMBL — bioactivity