Ibuprofen methyl ester

C14H20O2CAS 61566-34-5220.31 g/mol

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OO
Ester

Properties

Molecular formula
C14H20O2
Molar mass
220.31 g/mol
Exact mass
220.1463 Da
logP
3.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
61566-34-5
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC
InChIKey
YNZYUHPFNYBBFF-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3

Weigh it out

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Names and synonyms

16 names · show all
  • Methyl 2-[4-(2-methylpropyl)phenyl]propanoate
  • Motrin methyl ester
  • Methyl 2-(4-isobutylphenyl)propionate
  • 2-(4-Isobutylphenyl)propionic acid methyl ester
  • Racemic ibuprofen methyl ester
  • Ibuprofen methyl ester, racemic
  • Ibuprofen methyl deriv
  • Methyl ester of Ibuprofen
  • Ibuprofen methyl derivative
  • Methyl 2-(p-isobutylphenyl)propionate
  • Methyl 2-(4'-isobutylphenyl)propanoate
  • Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-, methyl ester
  • Methyl alpha-(4-isobutylphenyl)propionate
  • Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, methyl ester
  • (+/-)-Ibuprofen methyl ester
  • Methyl 2-(4-isobutylphenyl)propanoate

Work with Ibuprofen methyl ester

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

Similar compounds

Ibuprofen15687-27-159 % similar (+)-Ibuprofen51146-56-659 % similar (-)-Ibuprofen51146-57-759 % similar Ibuprofen58560-75-159 % similar Ibuprofen piconol64622-45-356 % similar 1,3-Dimethyl 2-(2-methylpropyl)propanedioate39520-24-647 % similar 4′-Isobutylacetophenone38861-78-845 % similar Methyl L-tyrosinate1080-06-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylbenzylcarbinyl butyrate10094-34-5 1-Adamantyl methacrylate16887-36-8 2,5-Di-tert-butyl-1,4-benzoquinone2460-77-7 2-Methyl-2-adamantyl acrylate249562-06-9 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate2611-00-9 8-Phenyloctanoic acid26547-51-3 4-(Heptyloxy)benzaldehyde27893-41-0 3,5-Di-tert-butyl-1,2-benzoquinone3383-21-9

Elsewhere

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