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3-[4-[Cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enamide (HCID 68654571)|Huagongshe
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Compound
3-[4-[Cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enamide
HCID
68654571
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
NC(=O)C=Cc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1
InChIKey
GBGHTHKZJPQDEL-UHFFFAOYSA-N
Molecular formula
C22H23NO2
Average molar mass
333.4 g/mol
Monoisotopic mass
333.17287898
Names & identifiers
Preferred name
3-[4-[Cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enamide
IUPAC
3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enamide
Names & synonyms
SCHEMBL3468544
Database identifiers
PubChem CID
68654571
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
63.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
498
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
212281
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
2126435
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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