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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-4-METHOXYACETOPHENONE

SMILES

COC1=CC=C(C=C1O)C(C)=O

InChI

InChIKey=YLTGFGDODHXMFB-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
1-(3-Hydroxy-4-methoxy-5-methylphenyl) ethanone, a new compound from the stem bark of Lamprothamnus zanguebaricus.
2003 Dec
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:35:19 GMT 2023
Edited
by admin
on Fri Dec 15 19:35:19 GMT 2023
Record UNII
286G943O33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-4-METHOXYACETOPHENONE
Common Name English
ETHANONE, 1-(3-HYDROXY-4-METHOXYPHENYL)-
Systematic Name English
3'-HYDROXY-4'-METHOXYACETOPHENONE
Systematic Name English
5-ACETYL-2-METHOXYPHENOL
Systematic Name English
4'-METHOXY-3'-HYDROXYACETOPHENONE
Systematic Name English
2-METHOXY-5-ACETYLPHENOL
Systematic Name English
NSC-30050
Code English
ISOACETOVANILLONE
Common Name English
ACETOISOVANILLONE
Common Name English
Code System Code Type Description
MESH
C085119
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID80209872
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
CAS
6100-74-9
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
NSC
30050
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
FDA UNII
286G943O33
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
PUBCHEM
95693
Created by admin on Fri Dec 15 19:35:19 GMT 2023 , Edited by admin on Fri Dec 15 19:35:19 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
NMT 1%
USP