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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H14O2
Molecular Weight 166.217
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(Phenylmethoxy)-2-propanol, (2S)-

SMILES

C[C@H](O)COCC1=CC=CC=C1

InChI

InChIKey=KJBPYIUAQLPHJG-VIFPVBQESA-N
InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H14O2
Molecular Weight 166.217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:25:08 GMT 2025
Edited
by admin
on Wed Apr 02 20:25:08 GMT 2025
Record UNII
5XA7248FEQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(Phenylmethoxy)-2-propanol, (2S)-
Systematic Name English
(2S)-1-(Phenylmethoxy)-2-propanol
Preferred Name English
(S)-(+)-1-Benzyloxy-2-propanol
Systematic Name English
(2S)-1-Phenylmethoxypropan-2-ol
Systematic Name English
2-Propanol, 1-(phenylmethoxy)-, (2S)-
Systematic Name English
(2S)-1-Benzyloxypropan-2-ol
Systematic Name English
Code System Code Type Description
CAS
85483-97-2
Created by admin on Wed Apr 02 20:25:08 GMT 2025 , Edited by admin on Wed Apr 02 20:25:08 GMT 2025
PRIMARY
PUBCHEM
13197475
Created by admin on Wed Apr 02 20:25:08 GMT 2025 , Edited by admin on Wed Apr 02 20:25:08 GMT 2025
PRIMARY
FDA UNII
5XA7248FEQ
Created by admin on Wed Apr 02 20:25:08 GMT 2025 , Edited by admin on Wed Apr 02 20:25:08 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER