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

Details

Stereochemistry RACEMIC
Molecular Formula C13H18O5
Molecular Weight 254.279
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,4,5-Trimethoxyphenyl)butyric acid

SMILES

CCC(C(O)=O)C1=CC(OC)=C(OC)C(OC)=C1

InChI

InChIKey=WBULUDGUWZFLMO-UHFFFAOYSA-N
InChI=1S/C13H18O5/c1-5-9(13(14)15)8-6-10(16-2)12(18-4)11(7-8)17-3/h6-7,9H,5H2,1-4H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(R/S)-2-(3,4,5-Trimethoxyphenyl)butyric acid
Preferred Name English
2-(3,4,5-Trimethoxyphenyl)butyric acid
Systematic Name English
?-Ethyl-3,4,5-trimethoxybenzeneacetic acid
Systematic Name English
(±)-2-(3,4,5-Trimethoxyphenyl)butyric acid
Systematic Name English
Benzeneacetic acid, ?-ethyl-3,4,5-trimethoxy-
Systematic Name English
Code System Code Type Description
FDA UNII
ETY6V28GWS
Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025
PRIMARY
PUBCHEM
2771668
Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025
PRIMARY
CAS
195202-06-3
Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID40941286
Created by admin on Wed Apr 02 05:27:26 GMT 2025 , Edited by admin on Wed Apr 02 05:27:26 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966