Ibuprofen (CAS 15687-27-1)

Ibuprofen, (+-)-

CAS 15687-27-1  ·  C13H18O2  ·  MW 206.28 g/mol

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3D model Ibuprofen, (+-)-, CAS 15687-27-1, molecular formula C13H18O2, molar mass 206.28 g/mol
About 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC13H18O2
Masa molowa206.28 g/mol
IUPAC2-[4-(2-methylpropyl)phenyl]propanoic acid
SMILESCC(C)CC1=CC=C(C=C1)C(C)C(=O)O
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-N
logP (XLogP3)3.5
PSA37.3 Ų
HBD / HBA1 / 2
PubChem CIDCID 3672 ↗
GHS safety

Signal word: Danger

GHS07
GHS07
GHS08
GHS08
GHS09
GHS09

H302 — Działa szkodliwie po połknięciu

H360 — Może działać szkodliwie na płodność lub na dziecko w łonie matki

H362 — Może działać szkodliwie na dzieci karmione piersią

H371 — Może spowodować uszkodzenie narządów

H373 — Może powodować uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H411 — Działa toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

3 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (3 articles)

2025: 1 articles20252026: 2 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
58560-75-1 · IBUPROFEN, (+-)- · RefChem:6648 · ibuprofen · 15687-27-1 · 2-(4-Isobutylphenyl)propanoic acid · Brufen · Motrin · Advil · 2-[4-(2-methylpropyl)phenyl]propanoic acid · Medipren · Nurofen · Liptan · Nuprin · Anflagen
Data sources
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Related molecules
📜 License & provenanceMolGod_License_1
Ibuprofen, (+-)- (CAS 15687-27-1), C13H18O2 - 3D ball-and-stick molecular model, engraved element symbols (C H O), MolGod STL previewPobierz obraz

MG_788-863-278-65 · engraved · 403,062 △ · 19 MB · SHA-256 c110083a1c9552c5

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Ibuprofen, (+-)- (CAS 15687-27-1), C13H18O2 - 3D ball-and-stick molecular model, MolGod STL previewPobierz obraz

MG_788-863-278-65 · normal · 13,728 △ · 670 KB · SHA-256 163dcac69f8e80ed

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Model
Ibuprofen, (+-)- · 15687-27-1
InChIKey
HEFNNWSXXWATRW-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Ibuprofen, (+-)- (CAS 15687-27-1)
License & provenance record
Ibuprofen, (+-)- (CAS 15687-27-1) →
MolGod molecule record
Ibuprofen, (+-)- →
Source data
PubChem CID 3672 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build a53b3c2cff9c · generated 2026-10-01
SHA-256 (STL)
163dcac69f8e80ed974d2e33dc719b81aabd4b61008a81b34b9f38e694aee368
MD5 (STL)
2fd25a3221d33a2e1f3531cfd96f8dfa
MolGod Identification Number
MG_788-863-278-65
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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