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Hydroxycyclohexylphenyl ketone (HCID 54555704)|Huagongshe
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Compound
Hydroxycyclohexylphenyl ketone
HCID
54555704
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=C(c1cccc(O)c1C1CCCCC1)c1cccc(O)c1C1CCCCC1
InChIKey
ZNAAXKXXDQLJIX-UHFFFAOYSA-N
Molecular formula
C25H30O3
Average molar mass
378.5 g/mol
Monoisotopic mass
378.21949481
Names & identifiers
Preferred name
Hydroxycyclohexylphenyl ketone
IUPAC
bis(2-cyclohexyl-3-hydroxyphenyl)methanone
Names & synonyms
hydroxycyclohexylphenyl ketone
SCHEMBL194712
SCHEMBL29436328
ZNAAXKXXDQLJIX-UHFFFAOYSA-N
Database identifiers
PubChem CID
54555704
Properties
Computed structural properties
XLogP
7.6
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
462
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
1707323
As product
uspto-grants-1994_10
Compound notes
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