chempirical

(+)-Ibuprofen

C13H18O2CAS 51146-56-6206.28 g/mol

Open in Covalent MOL file
OOH
AlcoholCarboxylic Acid

Properties

Molecular formula
C13H18O2
Molar mass
206.28 g/mol
Exact mass
206.1307 Da
Melting point
54 °C
Boiling point
110 °C (at 0.1 Torr)
logP
3.07Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
51146-56-6
SMILES
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
InChIKey
HEFNNWSXXWATRW-JTQLQIEISA-N
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)/t10-/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (αS)-
  • Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, (S)-
  • (αS)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
  • d-Ibuprofen
  • (S)-(+)-Ibuprofen
  • (S)-Ibuprofen
  • Dexibuprofen
  • (+)-(S)-Ibuprofen
  • (+)-Ibuprophen
  • (S)-2-(4-Isobutylphenyl)propionic acid
  • (S)-2-(4-Isobutylphenyl)propanoic acid
  • (+)-(S)-p-Isobutylhydratropic acid
  • (S)-2-(p-Isobutylphenyl)propionic acid
  • (+)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
  • (S)-(+)-4-Isobutyl-α-methylphenylacetic acid
  • (S)-(+)-2-(4-Isobutylphenyl)propionic acid
  • Seractil
  • (S)-(+)-p-Isobutylhydratropic acid
  • Nyfen
  • Ultraprofen
  • S-Optifen

Work with (+)-Ibuprofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Isoamyl phenylacetate102-19-2 Phenylethyl isovalerate140-26-1 1-(4-Hydroxyphenyl)-1-heptanone14392-72-4 Ibuprofen15687-27-1 3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate17511-60-3 4-Hexylbenzoic acid21643-38-9 Phenylethyl 2-methylbutyrate24817-51-4 P-tert-Butylphenyl glycidyl ether3101-60-8

Elsewhere

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