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3-(4-Methoxybenzoyl)-2-(4-tolyl)benzofuran

HCID 21435289
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)c2c(-c3ccc(C)cc3)oc3ccccc23)cc1
InChIKey
YIJYQYCBPRIHRH-UHFFFAOYSA-N
Molecular formula
C23H18O3
Average molar mass
342.4 g/mol
Monoisotopic mass
342.12559443

Names & identifiers

Preferred name
3-(4-Methoxybenzoyl)-2-(4-tolyl)benzofuran
IUPAC
(4-methoxyphenyl)-[2-(4-methylphenyl)-1-benzofuran-3-yl]methanone

Names & synonyms

SCHEMBL11671790YIJYQYCBPRIHRH-UHFFFAOYSA-N3-(4-methoxybenzoyl)-2-(4-tolyl)benzofuran

Database identifiers

PubChem CID
21435289

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
39.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
474

Related reactions

3 records
New reaction record
HRID 268362 reaction equation
HRID 268362As reactantuspto-grants-1976_03
HRID 1540227 reaction equation
HRID 1540227As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2398462 reaction equation
HRID 2398462As reactantuspto-grants-1977_05

Compound notes

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