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

Details

Stereochemistry RACEMIC
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-ETHYLPHENYL)PROPIONIC ACID

SMILES

CCC1=CC=C(C=C1)C(C)C(O)=O

InChI

InChIKey=VGMCZELQCNPMQV-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 Dec 16 08:16:54 GMT 2023
Edited
by admin
on Sat Dec 16 08:16:54 GMT 2023
Record UNII
7TM57OUE60
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-ETHYLPHENYL)PROPIONIC ACID
Systematic Name English
P-ETHYLHYDRATROPIC ACID
Common Name English
2-(P-ETHYLPHENYL)PROPIONIC ACID
Common Name English
(±)-2-(4-ETHYLPHENYL)PROPANOIC ACID
Systematic Name English
IBUPROFEN IMPURITY N [EP IMPURITY]
Common Name English
BENZENEACETIC ACID, 4-ETHYL-.ALPHA.-METHYL-
Common Name English
(2RS)-2-(4-ETHYLPHENYL)PROPANOIC ACID
Systematic Name English
Code System Code Type Description
CAS
3585-52-2
Created by admin on Sat Dec 16 08:16:55 GMT 2023 , Edited by admin on Sat Dec 16 08:16:55 GMT 2023
PRIMARY
FDA UNII
7TM57OUE60
Created by admin on Sat Dec 16 08:16:55 GMT 2023 , Edited by admin on Sat Dec 16 08:16:55 GMT 2023
PRIMARY
PUBCHEM
527816
Created by admin on Sat Dec 16 08:16:55 GMT 2023 , Edited by admin on Sat Dec 16 08:16:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP