1-(3-Bromophenyl)-3,4,8,9-tetrahydro-4,4,8,8-tetramethyl-6-furo[2,3-h]isoquinolinol

HCID 136336325
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)Cc2c(c(O)cc3c2C(c2cccc(Br)c2)=NCC3(C)C)O1
InChIKey
LDUMZJFPNBJSIZ-UHFFFAOYSA-N
Molecular formula
C21H22BrNO2
Average molar mass
400.3 g/mol
Monoisotopic mass
399.08339

Names & identifiers

Preferred name
1-(3-Bromophenyl)-3,4,8,9-tetrahydro-4,4,8,8-tetramethyl-6-furo[2,3-h]isoquinolinol
IUPAC
1-(3-bromophenyl)-4,4,8,8-tetramethyl-3,9-dihydrofuro[2,3-h]isoquinolin-6-ol

Names & synonyms

SCHEMBL5784456LDUMZJFPNBJSIZ-UHFFFAOYSA-N1-(3-Bromophenyl)-3,4,8,9-tetrahydro-4,4,8,8-tetramethyl-6-furo[2,3-h]isoquinolinol

Database identifiers

PubChem CID
136336325

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
41.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

Loading…