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5-Bromo-2-(4-methoxybenzyl)benzofuran

HCID 21844370
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(Cc2cc3cc(Br)ccc3o2)cc1
InChIKey
IKKGJXUMIYADBT-UHFFFAOYSA-N
Molecular formula
C16H13BrO2
Average molar mass
317.18 g/mol

Names & identifiers

Preferred name
5-Bromo-2-(4-methoxybenzyl)benzofuran
IUPAC
5-bromo-2-[(4-methoxyphenyl)methyl]-1-benzofuran

Names & synonyms

SCHEMBL7388457IKKGJXUMIYADBT-UHFFFAOYSA-N5-bromo-2-(4-methoxybenzyl)benzofuran

Database identifiers

PubChem CID
21844370

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
22.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
288

Related reactions

5 records
New reaction record
HRID 53990 reaction equation
HRID 53990As productuspto-grants-1997_04
HRID 296247 reaction equation
HRID 296247As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 361925 reaction equation
HRID 361925As productuspto-grants-1999_02
HRID 1738704 reaction equation
HRID 1738704As productuspto-grants-1999_10
HRID 1901357 reaction equation
HRID 1901357As productuspto-grants-1996_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes