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Chemical structure of 1-Hydroxy-ibuprofen

GC60447

1-Hydroxy-ibuprofen

Also known as 2-[4-(1-hydroxy-2-methylpropyl)phenyl]propanoic acid

1-Hydroxy Ibuprofen is a metabolite of Ibuprofen in P

ChemicalCAS53949-53-4MW222.28FormulaC13H18O3
CAS number
53949-53-4
Molecular weight
222.28
Formula
C13H18O3
InChIKey
RMOQYHYFRKTDRI-UHFFFAOYSA-N
Catalogue number
GC60447
Brand
GLPBIO
Computed properties PubChem CID 45117195 · XLogP 2.4 · TPSA 57.5 Ų · H-bond donors 2
XLogP
2.4
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16

SMILES CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O

Computed descriptors from PubChem (CID 45117195), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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