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3,4-Diethylbenzophenone (HCID 21584598)|Huagongshe
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Compound
3,4-Diethylbenzophenone
HCID
21584598
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCc1ccc(C(=O)c2ccccc2)cc1CC
InChIKey
YIOGXDPPVIFJKT-UHFFFAOYSA-N
Molecular formula
C17H18O
Average molar mass
238.32 g/mol
Names & identifiers
Preferred name
3,4-Diethylbenzophenone
IUPAC
(3,4-diethylphenyl)-phenylmethanone
Names & synonyms
3,4-diethylbenzophenone
SCHEMBL5074190
YIOGXDPPVIFJKT-UHFFFAOYSA-N
Database identifiers
PubChem CID
21584598
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
265
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Related reactions
20 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
158146
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
366629
As product
uspto-grants-2000_10
HRID
366630
As reactant
uspto-grants-2000_10
HRID
366631
As reactant
uspto-grants-2000_10
HRID
583471
As product
uspto-grants-1999_07
HRID
583472
As reactant
uspto-grants-1999_07
HRID
583473
As reactant
uspto-grants-1999_07
HRID
702465
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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