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Details

Stereochemistry MIXED
Molecular Formula C13H18O3
Molecular Weight 222.2807
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4'-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPIONIC ACID

SMILES

CC(C)C(c1ccc(cc1)C(C)C(=O)O)O

InChI

InChIKey=RMOQYHYFRKTDRI-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2807
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 04:02:49 UTC 2021
Edited
by admin
on Sat Jun 26 04:02:49 UTC 2021
Record UNII
8A1S87ZA87
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4'-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPIONIC ACID
Common Name English
2-(4-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
IBUPROFEN IMPURITY L [EP]
Common Name English
(+/-)-2-(4-(1-HYDROXY-2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
BENZENEACETIC ACID, 4-(1-HYDROXY-2-METHYLPROPYL)-.ALPHA.-METHYL-
Common Name English
Code System Code Type Description
CAS
53949-53-4
Created by admin on Sat Jun 26 04:02:50 UTC 2021 , Edited by admin on Sat Jun 26 04:02:50 UTC 2021
PRIMARY
PUBCHEM
45117195
Created by admin on Sat Jun 26 04:02:50 UTC 2021 , Edited by admin on Sat Jun 26 04:02:50 UTC 2021
PRIMARY
FDA UNII
8A1S87ZA87
Created by admin on Sat Jun 26 04:02:50 UTC 2021 , Edited by admin on Sat Jun 26 04:02:50 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
MINOR
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PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP