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1-Benzyloxy-4-phenyl-butan-2-one (HCID 21992782)|Huagongshe
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Compound
1-Benzyloxy-4-phenyl-butan-2-one
HCID
21992782
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C(CCc1ccccc1)COCc1ccccc1
InChIKey
WEKFCYVZDNGKJY-UHFFFAOYSA-N
Molecular formula
C17H18O2
Average molar mass
254.32 g/mol
Names & identifiers
Preferred name
1-Benzyloxy-4-phenyl-butan-2-one
IUPAC
4-phenyl-1-phenylmethoxybutan-2-one
Names & synonyms
SCHEMBL5238071
WEKFCYVZDNGKJY-UHFFFAOYSA-N
1-Benzyloxy-4-phenyl-butan-2-one
Database identifiers
PubChem CID
21992782
Nikkaji
J3.492.367A
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
250
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
8189
As product
uspto-grants-2006_08
HRID
814607
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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