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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O4
Molecular Weight 224.253
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2,4,5-TRIMETHOXYPHENYL)PROPAN-1-ONE

SMILES

CCC(=O)C1=CC(OC)=C(OC)C=C1OC

InChI

InChIKey=KUQHFNICKXWOBZ-UHFFFAOYSA-N
InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H16O4
Molecular Weight 224.253
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:08:58 GMT 2025
Edited
by admin
on Wed Apr 02 07:08:58 GMT 2025
Record UNII
8Y8GHA2Y2N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2,4,5-TRIMETHOXYPHENYL)PROPAN-1-ONE
Systematic Name English
Isoacoramone
Preferred Name English
2?,4?,5?-Trimethoxypropiophenone
Systematic Name English
2,4,5-Trimethoxylproriophenone
Systematic Name English
1-Propanone, 1-(2,4,5-trimethoxyphenyl)-
Systematic Name English
Propiophenone, 2?,4?,5?-trimethoxy
Systematic Name English
Code System Code Type Description
FDA UNII
8Y8GHA2Y2N
Created by admin on Wed Apr 02 07:08:58 GMT 2025 , Edited by admin on Wed Apr 02 07:08:58 GMT 2025
PRIMARY
WIKIPEDIA
2,4,5-Trimethoxypropiophenone
Created by admin on Wed Apr 02 07:08:58 GMT 2025 , Edited by admin on Wed Apr 02 07:08:58 GMT 2025
PRIMARY
PUBCHEM
700861
Created by admin on Wed Apr 02 07:08:58 GMT 2025 , Edited by admin on Wed Apr 02 07:08:58 GMT 2025
PRIMARY
CAS
3904-18-5
Created by admin on Wed Apr 02 07:08:58 GMT 2025 , Edited by admin on Wed Apr 02 07:08:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID60351464
Created by admin on Wed Apr 02 07:08:58 GMT 2025 , Edited by admin on Wed Apr 02 07:08:58 GMT 2025
PRIMARY