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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17BrO2
Molecular Weight 273.166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-Dimethoxy-4-isopropylbenzyl bromide

SMILES

COC1=CC(CBr)=CC(OC)=C1C(C)C

InChI

InChIKey=HWTOBQARWKVLQP-UHFFFAOYSA-N
InChI=1S/C12H17BrO2/c1-8(2)12-10(14-3)5-9(7-13)6-11(12)15-4/h5-6,8H,7H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-(Bromomethyl)-1,3-dimethoxy-2-(1-methylethyl)benzene
Preferred Name English
3,5-Dimethoxy-4-isopropylbenzyl bromide
Systematic Name English
Benzene, 5-(bromomethyl)-1,3-dimethoxy-2-(1-methylethyl)-
Systematic Name English
Code System Code Type Description
FDA UNII
THP6VK9722
Created by admin on Wed Apr 02 19:09:21 GMT 2025 , Edited by admin on Wed Apr 02 19:09:21 GMT 2025
PRIMARY
CAS
443982-73-8
Created by admin on Wed Apr 02 19:09:21 GMT 2025 , Edited by admin on Wed Apr 02 19:09:21 GMT 2025
PRIMARY
PUBCHEM
66842814
Created by admin on Wed Apr 02 19:09:21 GMT 2025 , Edited by admin on Wed Apr 02 19:09:21 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966