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

Details

Stereochemistry RACEMIC
Molecular Formula C11H16O3
Molecular Weight 196.2429
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-(HYDROXYMETHYL)-6-METHYLPHENOXY)PROPAN-2-OL

SMILES

CC(O)COC1=C(CO)C=CC=C1C

InChI

InChIKey=DCGROBWORDXDPU-UHFFFAOYSA-N
InChI=1S/C11H16O3/c1-8-4-3-5-10(6-12)11(8)14-7-9(2)13/h3-5,9,12-13H,6-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H16O3
Molecular Weight 196.2429
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 Sat Dec 16 15:42:40 UTC 2023
Edited
by admin
on Sat Dec 16 15:42:40 UTC 2023
Record UNII
SA6FY9NRV3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-(HYDROXYMETHYL)-6-METHYLPHENOXY)PROPAN-2-OL
Systematic Name English
BENZENEMETHANOL, 2-(2-HYDROXYPROPOXY)-3-METHYL-
Systematic Name English
KO 2618
Code English
2-(2-HYDROXYPROPOXY)-3-METHYLBENZENEMETHANOL
Systematic Name English
Code System Code Type Description
CAS
64111-04-2
Created by admin on Sat Dec 16 15:42:41 UTC 2023 , Edited by admin on Sat Dec 16 15:42:41 UTC 2023
PRIMARY
PUBCHEM
85909061
Created by admin on Sat Dec 16 15:42:41 UTC 2023 , Edited by admin on Sat Dec 16 15:42:41 UTC 2023
PRIMARY
FDA UNII
SA6FY9NRV3
Created by admin on Sat Dec 16 15:42:41 UTC 2023 , Edited by admin on Sat Dec 16 15:42:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE