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Details

Stereochemistry ACHIRAL
Molecular Formula C18H17NO.BrH
Molecular Weight 344.246
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-(3,3-Dimethyl-3H-indol-2-yl)ethenyl]phenol hydrobromide

SMILES

Br.CC1(C)C(\C=C\C2=CC=C(O)C=C2)=NC3=CC=CC=C13

InChI

InChIKey=FVQVZIOJSQIVJZ-NBYYMMLRSA-N
InChI=1S/C18H17NO.BrH/c1-18(2)15-5-3-4-6-16(15)19-17(18)12-9-13-7-10-14(20)11-8-13;/h3-12,20H,1-2H3;1H/b12-9+;

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H17NO
Molecular Weight 263.3337
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:24 GMT 2025
Record UNII
LHL6L5CXG8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-(3,3-Dimethyl-3H-indol-2-yl)ethenyl]phenol hydrobromide
Systematic Name English
Phenol, 4-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-, hydrobromide
Preferred Name English
Phenol, 4-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-, hydrobromide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
LHL6L5CXG8
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
CAS
53641-92-2
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
PUBCHEM
168429538
Created by admin on Wed Apr 02 17:30:24 GMT 2025 , Edited by admin on Wed Apr 02 17:30:24 GMT 2025
PRIMARY
Related Record Type Details
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