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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,5-Dimethoxyphenyl)ethanone

SMILES

COC1=CC(=CC(OC)=C1)C(C)=O

InChI

InChIKey=YJKHOUIVWKQRSL-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
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 09:09:17 GMT 2025
Edited
by admin
on Wed Apr 02 09:09:17 GMT 2025
Record UNII
UB92MR8J9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,5-Dimethoxyphenyl)ethanone
Systematic Name English
NSC-46884
Preferred Name English
Ethanone, 1-(3,5-dimethoxyphenyl)-
Systematic Name English
1-(3,5-Dimethoxyphenyl)ethan-1-one
Systematic Name English
Code System Code Type Description
NSC
46884
Created by admin on Wed Apr 02 09:09:17 GMT 2025 , Edited by admin on Wed Apr 02 09:09:17 GMT 2025
PRIMARY
CAS
39151-19-4
Created by admin on Wed Apr 02 09:09:17 GMT 2025 , Edited by admin on Wed Apr 02 09:09:17 GMT 2025
PRIMARY
FDA UNII
UB92MR8J9T
Created by admin on Wed Apr 02 09:09:17 GMT 2025 , Edited by admin on Wed Apr 02 09:09:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID30959951
Created by admin on Wed Apr 02 09:09:17 GMT 2025 , Edited by admin on Wed Apr 02 09:09:17 GMT 2025
PRIMARY
PUBCHEM
95997
Created by admin on Wed Apr 02 09:09:17 GMT 2025 , Edited by admin on Wed Apr 02 09:09:17 GMT 2025
PRIMARY