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Compound
1-(2-Hydroxy-5-tetradecylphenyl)ethanone
HCID
14256205
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCCCCCc1ccc(O)c(C(C)=O)c1
InChIKey
JWDXWDNCCOCUGT-UHFFFAOYSA-N
Molecular formula
C22H36O2
Average molar mass
332.5 g/mol
Names & identifiers
Preferred name
1-(2-Hydroxy-5-tetradecylphenyl)ethanone
IUPAC
1-(2-hydroxy-5-tetradecylphenyl)ethanone
Names & synonyms
SCHEMBL9767987
JWDXWDNCCOCUGT-UHFFFAOYSA-N
1-(2-Hydroxy-5-tetradecylphenyl)ethanone
Database identifiers
PubChem CID
14256205
Properties
Computed structural properties
XLogP
9.1
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
24
Formal charge
0
Complexity
313
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Related reactions
10 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
34837
As product
uspto-grants-1988_08
HRID
34838
As reactant
uspto-grants-1988_08
HRID
329976
As product
uspto-grants-1990_01
HRID
329977
As reactant
uspto-grants-1990_01
HRID
703322
As product
uspto-grants-1991_01
HRID
703323
As reactant
uspto-grants-1991_01
HRID
943355
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1228854
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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