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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-Methyl-4-phenylbutanoic acid

SMILES

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

InChI

InChIKey=OCKZHEXBLOOGOC-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(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

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:13:05 GMT 2025
Edited
by admin
on Tue Apr 01 20:13:05 GMT 2025
Record UNII
MNX7BV7UFZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-4-phenylbutanoic acid
Systematic Name English
NSC-402998
Preferred Name English
Benzenebutanoic acid, ?-methyl-
Systematic Name English
?-Methylbenzenebutanoic acid
Systematic Name English
Butyric acid, 2-methyl-4-phenyl-
Systematic Name English
Code System Code Type Description
CAS
1949-41-3
Created by admin on Tue Apr 01 20:13:05 GMT 2025 , Edited by admin on Tue Apr 01 20:13:05 GMT 2025
PRIMARY
NSC
402998
Created by admin on Tue Apr 01 20:13:05 GMT 2025 , Edited by admin on Tue Apr 01 20:13:05 GMT 2025
PRIMARY
PUBCHEM
16046
Created by admin on Tue Apr 01 20:13:05 GMT 2025 , Edited by admin on Tue Apr 01 20:13:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID501306426
Created by admin on Tue Apr 01 20:13:05 GMT 2025 , Edited by admin on Tue Apr 01 20:13:05 GMT 2025
PRIMARY
FDA UNII
MNX7BV7UFZ
Created by admin on Tue Apr 01 20:13:05 GMT 2025 , Edited by admin on Tue Apr 01 20:13:05 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE