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(4-Ethoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium (HCID 86735902)|Huagongshe
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Compound
(4-Ethoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium
HCID
86735902
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCOc1cc(C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C
InChIKey
HTWUIYNBEZIVCI-UHFFFAOYSA-N
Molecular formula
C30H32OP+
Average molar mass
439.5 g/mol
Names & identifiers
Preferred name
(4-Ethoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium
IUPAC
(4-ethoxy-2,3,6-trimethylphenyl)methyl-triphenylphosphanium
Database identifiers
PubChem CID
86735902
Properties
Computed structural properties
XLogP
7.5
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
7
Heavy atoms
32
Formal charge
1
Complexity
497
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Related reactions
1 records
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As solvent
HRID
106219
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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