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-(2,4-DIMETHOXYPHENYL)ETHANONE

SMILES

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

InChI

InChIKey=VQTDPCRSXHFMOL-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)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 Tue Apr 01 19:20:15 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:15 GMT 2025
Record UNII
5ASM4Y5MBX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2,4-DIMETHOXYPHENYL)ETHANONE
Systematic Name English
1-(2,4-DIMETHOXYPHENYL)ETHAN-1-ONE
Preferred Name English
2',4'-DIMETHOXYACETOPHENONE
Common Name English
4-ACETYL-1,3-DIMETHOXYBENZENE
Common Name English
ETHANONE, 1-(2,4-DIMETHOXYPHENYL)-
Systematic Name English
NSC-46645
Code English
Code System Code Type Description
ECHA (EC/EINECS)
212-587-2
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY
PUBCHEM
70016
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY
NSC
46645
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID70232073
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY
FDA UNII
5ASM4Y5MBX
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY
CAS
829-20-9
Created by admin on Tue Apr 01 19:20:15 GMT 2025 , Edited by admin on Tue Apr 01 19:20:15 GMT 2025
PRIMARY