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 RACEMIC
Molecular Formula C11H16O3
Molecular Weight 196.2429
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(2-Hydroxypropoxy)-3,5-dimethylphenol

SMILES

CC(O)COC1=C(C)C=C(O)C=C1C

InChI

InChIKey=OXUHCCPPMVEKMW-UHFFFAOYSA-N
InChI=1S/C11H16O3/c1-7-4-10(13)5-8(2)11(7)14-6-9(3)12/h4-5,9,12-13H,6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H16O3
Molecular Weight 196.2429
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
VX9PM4LT5Z
Record Status Validated (UNII)
Record Version