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-(4-HYDROXY-2,5-DIMETHOXYPHENYL)-1-BUTANONE

SMILES

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

InChI

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

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 Tue Apr 01 16:31:32 GMT 2025
Edited
by admin
on Tue Apr 01 16:31:32 GMT 2025
Record UNII
1HMW4P00QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYROPHENONE, 4'-HYDROXY-2',5'-DIMETHOXY-
Preferred Name English
1-(4-HYDROXY-2,5-DIMETHOXYPHENYL)-1-BUTANONE
Systematic Name English
Code System Code Type Description
FDA UNII
1HMW4P00QJ
Created by admin on Tue Apr 01 16:31:32 GMT 2025 , Edited by admin on Tue Apr 01 16:31:32 GMT 2025
PRIMARY
PUBCHEM
119081314
Created by admin on Tue Apr 01 16:31:32 GMT 2025 , Edited by admin on Tue Apr 01 16:31:32 GMT 2025
PRIMARY
CAS
105476-01-5
Created by admin on Tue Apr 01 16:31:32 GMT 2025 , Edited by admin on Tue Apr 01 16:31:32 GMT 2025
PRIMARY