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4-Benzyloxy-3-formyl-2,6-dimethylpyridine

HCID 22934971
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(OCc2ccccc2)c(C=O)c(C)n1
InChIKey
OBAMBSGAFNAHEF-UHFFFAOYSA-N
Molecular formula
C15H15NO2
Average molar mass
241.28 g/mol
Monoisotopic mass
241.11027872

Names & identifiers

Preferred name
4-Benzyloxy-3-formyl-2,6-dimethylpyridine
IUPAC
2,6-dimethyl-4-phenylmethoxypyridine-3-carbaldehyde

Names & synonyms

SCHEMBL5381408OBAMBSGAFNAHEF-UHFFFAOYSA-N4-benzyloxy-3-formyl-2,6-dimethylpyridine

Database identifiers

PubChem CID
22934971

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
263

Related reactions

4 records
New reaction record
HRID 212994 reaction equation
HRID 212994As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 282291 reaction equation
HRID 282291As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 916596 reaction equation
HRID 916596As productuspto-grants-2007_09
HRID 916597 reaction equation
HRID 916597As reactantuspto-grants-2007_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes