Chemical Component Summary

Name(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
Synonyms(R)-Ibuprofen
Identifiers(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
FormulaC13 H18 O2
Molecular Weight206.281
TypeNON-POLYMER
Isomeric SMILESC[C@H](c1ccc(cc1)CC(C)C)C(=O)O
InChIInChI=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-/m1/s1
InChIKeyHEFNNWSXXWATRW-SNVBAGLBSA-N

Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count1
Bond Count33
Aromatic Bond Count6

Related Resource References

Resource NameReference
Pharos CHEMBL427526
PubChem 114864
ChEMBL CHEMBL427526
ChEBI CHEBI:47835
CCDC/CSD IBPRAC, JEKNOC12, JEKNOC11, IBPRAC16, IBPRAC17, IBPRAC18, IBPRAC19, SOGLAC, IBPRAC01, IBPRAC06, JEKNOC10, IBPRAC04, SODDIZ, TAWSOB, JEKNOC, OWIGEH, IBPRAC07, IBPRAC09, IBPRAC05, ROQMAN, SODDIZ01, HUPPAJ, IBPRAC10, IBPRAC21, EQAKUF, EQAKOZ, QAKTAB
COD 1559416, 2006278, 4511599, 2104678, 4503558, 4503559, 2209438, 2300212, 2300213, 2300214, 2300216, 2300215, 2300217, 2300218, 2300219, 2300221, 2300224, 2202426, 4512740, 4512741, 4512742, 4512743, 4512744, 4512745, 4512747, 4512746, 4512748, 4512749, 4512750, 4512751, 4512752, 4512753, 4512754