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6-Ethenyl-1-[3-fluoro-4-(methyloxy)phenyl]-4-(methyloxy)-1H-indole

HCID 67136453
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cc1cc(OC)c2ccn(-c3ccc(OC)c(F)c3)c2c1
InChIKey
BUIPFFSYOZKVHW-UHFFFAOYSA-N
Molecular formula
C18H16FNO2
Average molar mass
297.3 g/mol

Names & identifiers

Preferred name
6-Ethenyl-1-[3-fluoro-4-(methyloxy)phenyl]-4-(methyloxy)-1H-indole
IUPAC
6-ethenyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxyindole

Names & synonyms

SCHEMBL1728508BUIPFFSYOZKVHW-UHFFFAOYSA-N6-Ethenyl-1-[3-fluoro-4-(methyloxy)phenyl]-4-(methyloxy)-1H-indole

Database identifiers

PubChem CID
67136453

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
23.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
391

Related reactions

4 records
New reaction record
HRID 699647 reaction equation
HRID 699647As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2161825 reaction equation
HRID 2161825As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2421233 reaction equation
HRID 2421233As productuspto-grants-2011_06
HRID 2421234 reaction equation
HRID 2421234As reactantuspto-grants-2011_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes