U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O3
Molecular Weight 222.2807
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID

SMILES

CC(C)Cc1ccc(cc1)C(C)(C(=O)O)O

InChI

InChIKey=APEODKDQAWQDLW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2807
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 16:16:04 UTC 2021
Edited
by admin
on Sat Jun 26 16:16:04 UTC 2021
Record UNII
72Z1R0AQ22
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID
Systematic Name English
(2RS)-2-HYDROXY-2-(4-(2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-METHYL-4-(2-METHYLPROPYL)-
Common Name English
RAC .ALPHA.-HYDROXY IBUPROFEN
Common Name English
(+/-)-2-HYDROXY-2-(4-(2-METHYLPROPYL)PHENYL)PROPANOIC ACID
Systematic Name English
.ALPHA.-HYDROXY IBUPROFEN, (+/-)-
Common Name English
2-(P-ISOBUTYLPHENYL)LACTIC ACID
Common Name English
2-HYDROXY-2-(4-ISOBUTYLPHENYL)PROPIONIC ACID
Systematic Name English
IBUPROFEN IMPURITY M [EP]
Common Name English
2-(P-ISOBUTYLPHENYL)-2-HYDROXYPROPIONIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
5228577
Created by admin on Sat Jun 26 16:16:04 UTC 2021 , Edited by admin on Sat Jun 26 16:16:04 UTC 2021
PRIMARY
CAS
60057-62-7
Created by admin on Sat Jun 26 16:16:04 UTC 2021 , Edited by admin on Sat Jun 26 16:16:04 UTC 2021
PRIMARY
FDA UNII
72Z1R0AQ22
Created by admin on Sat Jun 26 16:16:04 UTC 2021 , Edited by admin on Sat Jun 26 16:16:04 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP