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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14O3
Molecular Weight 194.2271
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-HYDROXYMETHYLEUGENOL, (S)-

SMILES

COC1=CC=C(C=C1OC)[C@@H](O)C=C

InChI

InChIKey=DFQDENBMPURIHD-VIFPVBQESA-N
InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h4-7,9,12H,1H2,2-3H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H14O3
Molecular Weight 194.2271
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 Sat Dec 16 12:12:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:57 GMT 2023
Record UNII
LJY44WP3YW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1'-HYDROXYMETHYLEUGENOL, (S)-
Common Name English
BENZENEMETHANOL, .ALPHA.-ETHENYL-3,4-DIMETHOXY-, (.ALPHA.S)-
Systematic Name English
(.ALPHA.S)-.ALPHA.-ETHENYL-3,4-DIMETHOXYBENZENEMETHANOL
Systematic Name English
(S)-1-(3,4-DIMETHOXYPHENYL)PROP-2-EN-1-OL
Systematic Name English
Code System Code Type Description
PUBCHEM
118606399
Created by admin on Sat Dec 16 12:12:57 GMT 2023 , Edited by admin on Sat Dec 16 12:12:57 GMT 2023
PRIMARY
CAS
872853-94-6
Created by admin on Sat Dec 16 12:12:57 GMT 2023 , Edited by admin on Sat Dec 16 12:12:57 GMT 2023
PRIMARY
FDA UNII
LJY44WP3YW
Created by admin on Sat Dec 16 12:12:57 GMT 2023 , Edited by admin on Sat Dec 16 12:12:57 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER