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4'-Methoxymethoxy-1,1'-biphenyl-4-carbonitrile

HCID 60102131
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
GKOMGLFYINWNPZ-UHFFFAOYSA-N
Molecular formula
C15H13NO2
Average molar mass
239.27 g/mol
Monoisotopic mass
239.09462866

Names & identifiers

Preferred name
4'-Methoxymethoxy-1,1'-biphenyl-4-carbonitrile
IUPAC
4-[4-(methoxymethoxy)phenyl]benzonitrile

Names & synonyms

SCHEMBL1679655GKOMGLFYINWNPZ-UHFFFAOYSA-N4'-methoxymethoxy-1,1'-biphenyl-4-carbonitrile

Database identifiers

PubChem CID
60102131

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
280

Related reactions

2 records
New reaction record
HRID 105327 reaction equation
HRID 105327As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2076697 reaction equation
HRID 2076697As productuspto-grants-2011_04

Compound notes

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