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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O
Molecular Weight 160.2124
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[4-(1-Methylethenyl)phenyl]ethanone

SMILES

CC(=C)C1=CC=C(C=C1)C(C)=O

InChI

InChIKey=WMVUYUVKNFDYAF-UHFFFAOYSA-N
InChI=1S/C11H12O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-7H,1H2,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1-[4-(1-Methylethenyl)phenyl]ethanone
Systematic Name English
Acetophenone, 4?-isopropenyl-
Preferred Name English
Ethanone, 1-[4-(1-methylethenyl)phenyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
5GD76CV6K8
Created by admin on Mon Mar 31 21:48:49 GMT 2025 , Edited by admin on Mon Mar 31 21:48:49 GMT 2025
PRIMARY
CAS
5359-04-6
Created by admin on Mon Mar 31 21:48:49 GMT 2025 , Edited by admin on Mon Mar 31 21:48:49 GMT 2025
PRIMARY
PUBCHEM
589438
Created by admin on Mon Mar 31 21:48:49 GMT 2025 , Edited by admin on Mon Mar 31 21:48:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID5021625
Created by admin on Mon Mar 31 21:48:49 GMT 2025 , Edited by admin on Mon Mar 31 21:48:49 GMT 2025
PRIMARY