U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14O2
Molecular Weight 214.2598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(6-HYDROXY-2-NAPHTHALENYL)-2-BUTANONE

SMILES

CC(=O)CCC1=CC=C2C=C(O)C=CC2=C1

InChI

InChIKey=MLTSMDXZECLWCK-UHFFFAOYSA-N
InChI=1S/C14H14O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-9,16H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H14O2
Molecular Weight 214.2598
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 Mon Mar 31 20:25:32 GMT 2025
Edited
by admin
on Mon Mar 31 20:25:32 GMT 2025
Record UNII
9161F1HY4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-HYDROXY-2-NAPHTHALENYL)-2-BUTANONE
Systematic Name English
2-BUTANONE, 4-(6-HYDROXY-2-NAPHTHALENYL)-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID90797376
Created by admin on Mon Mar 31 20:25:32 GMT 2025 , Edited by admin on Mon Mar 31 20:25:32 GMT 2025
PRIMARY
PUBCHEM
71374602
Created by admin on Mon Mar 31 20:25:32 GMT 2025 , Edited by admin on Mon Mar 31 20:25:32 GMT 2025
PRIMARY
CAS
68427-22-5
Created by admin on Mon Mar 31 20:25:32 GMT 2025 , Edited by admin on Mon Mar 31 20:25:32 GMT 2025
PRIMARY
FDA UNII
9161F1HY4G
Created by admin on Mon Mar 31 20:25:32 GMT 2025 , Edited by admin on Mon Mar 31 20:25:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE