General Information of the Compound
| Compound ID |
CP0045761
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| Compound Name |
(S)-2-(4-Isobutyl-phenyl)-propionic acid
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| Synonyms |
(+)-(S)-p-Isobutylhydratropic acid
(2S)-2-(4-isobutylphenyl)propanoic acid
(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
(S)-(+)-2-(4-Isobutylphenyl)propionic acid
(S)-(+)-4-Isobutyl-alpha-methylphenylacetic acid
(S)-(+)-Ibuprofen
(S)-2-(4-Isobutylphenyl)propanoic acid
(S)-Ibuprofen
(S)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid
51146-56-6
671DKG7P5S
CHEBI:43415
CHEMBL175
DEXIBUPROFEN
Dexibuprofen
NCGC00016861-05
S(+)-Ibuprofen
S-(+)-ibuprofen
Seractil
UNII-671DKG7P5S
d-Ibuproten
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| Structure |
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| Formula |
C13H18O2
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| Molecular Weight |
206.285
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
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| 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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| InChIKey |
HEFNNWSXXWATRW-JTQLQIEISA-N
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| CAS |
51146-56-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound