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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H15NO3
Molecular Weight 257.2845
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-HYDROXY-4-METHOXYPHENYL)-3-(2-PYRIDINYL)-1-PROPANONE

SMILES

COC1=CC(O)=C(C=C1)C(=O)CCC2=NC=CC=C2

InChI

InChIKey=IPMVYTFFNWLSAN-UHFFFAOYSA-N
InChI=1S/C15H15NO3/c1-19-12-6-7-13(15(18)10-12)14(17)8-5-11-4-2-3-9-16-11/h2-4,6-7,9-10,18H,5,8H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H15NO3
Molecular Weight 257.2845
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 13:16:03 GMT 2023
Edited
by admin
on Sat Dec 16 13:16:03 GMT 2023
Record UNII
EJ17MZ1LNZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-HYDROXY-4-METHOXYPHENYL)-3-(2-PYRIDINYL)-1-PROPANONE
Systematic Name English
FEMA NO. 4723
Code English
1-PROPANONE, 1-(2-HYDROXY-4-METHOXYPHENYL)-3-(2-PYRIDINYL)-
Systematic Name English
1-(2-HYDROXY-4-METHOXYPHENYL)-3-(PYRIDIN-2-YL)PROPAN-1-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
EJ17MZ1LNZ
Created by admin on Sat Dec 16 13:16:03 GMT 2023 , Edited by admin on Sat Dec 16 13:16:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID401019569
Created by admin on Sat Dec 16 13:16:03 GMT 2023 , Edited by admin on Sat Dec 16 13:16:03 GMT 2023
PRIMARY
JECFA MONOGRAPH
2136
Created by admin on Sat Dec 16 13:16:03 GMT 2023 , Edited by admin on Sat Dec 16 13:16:03 GMT 2023
PRIMARY
PUBCHEM
49869549
Created by admin on Sat Dec 16 13:16:03 GMT 2023 , Edited by admin on Sat Dec 16 13:16:03 GMT 2023
PRIMARY
CAS
1190229-37-8
Created by admin on Sat Dec 16 13:16:03 GMT 2023 , Edited by admin on Sat Dec 16 13:16:03 GMT 2023
PRIMARY