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

Details

Stereochemistry RACEMIC
Molecular Formula C18H20O2
Molecular Weight 268.3502
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxy-4-methyl-1,5-diphenyl-2-pentanone

SMILES

CC(O)(CC(=O)CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChIKey=HTWMLQAJDDZVNX-UHFFFAOYSA-N
InChI=1S/C18H20O2/c1-18(20,13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2-11,20H,12-14H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-Hydroxy-4-methyl-1,5-diphenyl-2-pentanone
Systematic Name English
2-Pentanone, 4-hydroxy-4-methyl-1,5-diphenyl-
Preferred Name English
4-Methyl-1,5-diphenyl-1-pentene-2,4-diol
Systematic Name English
Code System Code Type Description
CAS
53189-96-1
Created by admin on Wed Apr 02 19:59:56 GMT 2025 , Edited by admin on Wed Apr 02 19:59:56 GMT 2025
PRIMARY
FDA UNII
M485CK6ZLP
Created by admin on Wed Apr 02 19:59:56 GMT 2025 , Edited by admin on Wed Apr 02 19:59:56 GMT 2025
PRIMARY
PUBCHEM
12285274
Created by admin on Wed Apr 02 19:59:56 GMT 2025 , Edited by admin on Wed Apr 02 19:59:56 GMT 2025
PRIMARY
CAS
79955-45-6
Created by admin on Wed Apr 02 19:59:56 GMT 2025 , Edited by admin on Wed Apr 02 19:59:56 GMT 2025
ALTERNATIVE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966