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

Details

Stereochemistry MIXED
Molecular Formula C16H24O3
Molecular Weight 264.36
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Hydroxypropyl 2-(4-isobutylphenyl)propanoate

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(C)O

InChI

InChIKey=VUCGZWWOXKSFFZ-UHFFFAOYSA-N
InChI=1S/C16H24O3/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(18)19-10-12(3)17/h5-8,11-13,17H,9-10H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Hydroxypropyl 2-(4-isobutylphenyl)propanoate
Systematic Name English
2-Hydroxypropyl ?-methyl-4-(2-methylpropyl)benzeneacetate
Preferred Name English
Benzeneacetic acid, ?-methyl-4-(2-methylpropyl)-, 2-hydroxypropyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
13376834
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
CAS
95093-58-6
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
FDA UNII
84RA6D82EK
Created by admin on Wed Apr 02 17:54:42 GMT 2025 , Edited by admin on Wed Apr 02 17:54:42 GMT 2025
PRIMARY
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