Products for Research Use Only
RegisterLogin

Ibuprofen

CAT: 0203-19034-61Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0203-19034-61Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
15687-27-1
Storage Conditions
Room temperature

Chemical Information

Ibuprofen, (+-)-

Ibuprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. It has a role as a geroprotector, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a xenobiotic, a radical scavenger, a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, an environmental contaminant and a drug allergen. It is functionally related to a propionic acid. It is a conjugate acid of an ibuprofen(1-).

CAS Number15687-27-1
PubChem CID3672
IUPAC Name2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular FormulaC13H18O2
Molecular Weight206.28
XLogP3.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
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
HEFNNWSXXWATRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ibuprofen, (+-)-
CAS: 15687-27-1
CID: 3672
Formula: C13H18O2
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass206.130679813
Monoisotopic Mass206.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-I210400-01Ibuprofen

Popular Products