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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-Methoxybutyrophenone

SMILES

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

InChI

InChIKey=JLCDSZXBELPBRD-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 Sat Dec 16 12:29:53 GMT 2023
Edited
by admin
on Sat Dec 16 12:29:53 GMT 2023
Record UNII
Z9TA5W7AWP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-Methoxybutyrophenone
Systematic Name English
4-Methoxybutyrophenone
Common Name English
1-Butanone, 1-(4-methoxyphenyl)-
Systematic Name English
AI3-23190
Code English
NSC-5615
Code English
1-(4-Methoxyphenyl)-1-butanone
Systematic Name English
1-(4-Methoxyphenyl)butan-1-one
Systematic Name English
p-Methoxybutyrophenone
Common Name English
Butyrophenone, 4'-methoxy-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50194423
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY
NSC
5615
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY
CAS
4160-51-4
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-995-5
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY
PUBCHEM
77810
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY
FDA UNII
Z9TA5W7AWP
Created by admin on Sat Dec 16 12:29:53 GMT 2023 , Edited by admin on Sat Dec 16 12:29:53 GMT 2023
PRIMARY