Ibuprofen

CAS Registry Number®

15687-27-1

CAS Name

Ibuprofen

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

Ibuprofen.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139466-08-3 (retrieved 2024-11-22) (CAS RN: 15687-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    141-142 °C @ Press: 100 Torr

  • Melting Point (2)

    75-77 °C

  • Density (1)

    0.9181 g/cm³ @ Temp: 30 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)

InChIKey

InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N

SMILES

C(C(O)=O)(C)C1=CC=C(CC(C)C)C=C1

Canonical SMILES

O=C(O)C(C1=CC=C(C=C1)CC(C)C)C

Other Names for this Substance

  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
  • Hydratropic acid, p-isobutyl-
  • α-Methyl-4-(2-methylpropyl)benzeneacetic acid
  • Ibuprofen
  • p-Isobutylhydratropic acid

View All

Deleted or Replaced CAS Registry Numbers

139466-08-3, 58560-75-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration