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

Details

Stereochemistry RACEMIC
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-(2-PROPEN-1-YL)PHENOXY)-1,2-PROPANEDIOL

SMILES

OCC(O)COC1=CC=CC=C1CC=C

InChI

InChIKey=NRIXNDFJJSOBCR-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-2-5-10-6-3-4-7-12(10)15-9-11(14)8-13/h2-4,6-7,11,13-14H,1,5,8-9H2

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:48:37 GMT 2025
Edited
by admin
on Wed Apr 02 06:48:37 GMT 2025
Record UNII
0LM16ZD6JF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPRENOLOL HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Preferred Name English
3-(2-(2-PROPEN-1-YL)PHENOXY)-1,2-PROPANEDIOL
Systematic Name English
1,2-PROPANEDIOL, 3-(2-(2-PROPEN-1-YL)PHENOXY)-
Systematic Name English
(2RS)-3-(2-(PROP-2-ENYL)PHENOXY)PROPAN-1,2-DIOL
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
264-554-7
Created by admin on Wed Apr 02 06:48:37 GMT 2025 , Edited by admin on Wed Apr 02 06:48:37 GMT 2025
PRIMARY
PUBCHEM
198461
Created by admin on Wed Apr 02 06:48:37 GMT 2025 , Edited by admin on Wed Apr 02 06:48:37 GMT 2025
PRIMARY
CAS
63905-22-6
Created by admin on Wed Apr 02 06:48:37 GMT 2025 , Edited by admin on Wed Apr 02 06:48:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID10980864
Created by admin on Wed Apr 02 06:48:37 GMT 2025 , Edited by admin on Wed Apr 02 06:48:37 GMT 2025
PRIMARY
FDA UNII
0LM16ZD6JF
Created by admin on Wed Apr 02 06:48:37 GMT 2025 , Edited by admin on Wed Apr 02 06:48:37 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP