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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16O
Molecular Weight 164.2441
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ISOPROPYL-PHENETHYL ALCOHOL, (S)-

SMILES

CC(C)[C@@H](O)CC1=CC=CC=C1

InChI

InChIKey=AFLKKLSCQQGOEK-NSHDSACASA-N
InChI=1S/C11H16O/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H16O
Molecular Weight 164.2441
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 Mon Mar 31 23:10:06 GMT 2025
Edited
by admin
on Mon Mar 31 23:10:06 GMT 2025
Record UNII
C22M98F402
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-ISOPROPYL-PHENETHYL ALCOHOL-, (-)-
Preferred Name English
.ALPHA.-ISOPROPYL-PHENETHYL ALCOHOL, (S)-
Systematic Name English
BENZENEETHANOL, .ALPHA.-(1-METHYLETHYL)-, (.ALPHA.S)-
Systematic Name English
BENZENEETHANOL, .ALPHA.-(1-METHYLETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12442582
Created by admin on Mon Mar 31 23:10:06 GMT 2025 , Edited by admin on Mon Mar 31 23:10:06 GMT 2025
PRIMARY
CAS
67252-79-3
Created by admin on Mon Mar 31 23:10:06 GMT 2025 , Edited by admin on Mon Mar 31 23:10:06 GMT 2025
PRIMARY
FDA UNII
C22M98F402
Created by admin on Mon Mar 31 23:10:06 GMT 2025 , Edited by admin on Mon Mar 31 23:10:06 GMT 2025
PRIMARY