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Compound
2-Methoxy-5-nonyl benzophenone
HCID
20161991
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCCCCCCCCc1ccc(OC)c(C(=O)c2ccccc2)c1
InChIKey
NQRLFKKPILSBJU-UHFFFAOYSA-N
Molecular formula
C23H30O2
Average molar mass
338.5 g/mol
Names & identifiers
Preferred name
2-Methoxy-5-nonyl benzophenone
IUPAC
(2-methoxy-5-nonylphenyl)-phenylmethanone
Names & synonyms
2-methoxy-5-nonyl benzophenone
SCHEMBL10597931
NQRLFKKPILSBJU-UHFFFAOYSA-N
Database identifiers
PubChem CID
20161991
Properties
Computed structural properties
XLogP
7.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
25
Formal charge
0
Complexity
359
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Related reactions
6 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
247227
As product
uspto-grants-1987_11
HRID
247228
As reactant
uspto-grants-1987_11
HRID
284148
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
483069
As product
uspto-grants-1986_03
HRID
483070
As reactant
uspto-grants-1986_03
HRID
822012
As product
Test data from https://doi.org/10.1039/C8SC04228D
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Compound notes
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