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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IBUPROFEN ALCOHOL, (-)-

SMILES

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

InChI

InChIKey=IZXWIWYERZDWOA-LLVKDONJSA-N
InChI=1S/C13H20O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,10-11,14H,8-9H2,1-3H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H20O
Molecular Weight 192.2973
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 22:57:03 GMT 2025
Edited
by admin
on Mon Mar 31 22:57:03 GMT 2025
Record UNII
447XFQ34WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IBUPROFEN ALCOHOL, (-)-
Common Name English
(S)-2-P-ISOBUTYLPHENYL-1-PROPANOL
Preferred Name English
BENZENEETHANOL, .BETA.-METHYL-4-(2-METHYLPROPYL)-, (S)-
Systematic Name English
BENZENEETHANOL, .BETA.-METHYL-4-(2-METHYLPROPYL)-, (.BETA.S)-
Common Name English
Code System Code Type Description
CAS
114937-30-3
Created by admin on Mon Mar 31 22:57:03 GMT 2025 , Edited by admin on Mon Mar 31 22:57:03 GMT 2025
PRIMARY
FDA UNII
447XFQ34WK
Created by admin on Mon Mar 31 22:57:03 GMT 2025 , Edited by admin on Mon Mar 31 22:57:03 GMT 2025
PRIMARY
PUBCHEM
11745483
Created by admin on Mon Mar 31 22:57:03 GMT 2025 , Edited by admin on Mon Mar 31 22:57:03 GMT 2025
PRIMARY