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Methyl 2-ethoxy-3-(2-ethyl-4-hydroxyphenyl)propanoate (HCID 68629152)|Huagongshe
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Compound
Methyl 2-ethoxy-3-(2-ethyl-4-hydroxyphenyl)propanoate
HCID
68629152
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(Cc1ccc(O)cc1CC)C(=O)OC
InChIKey
FTQCYQLJVWYRMX-UHFFFAOYSA-N
Molecular formula
C14H20O4
Average molar mass
252.31 g/mol
Names & identifiers
Preferred name
Methyl 2-ethoxy-3-(2-ethyl-4-hydroxyphenyl)propanoate
IUPAC
methyl 2-ethoxy-3-(2-ethyl-4-hydroxyphenyl)propanoate
Names & synonyms
SCHEMBL3402960
Database identifiers
PubChem CID
68629152
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
18
Formal charge
0
Complexity
254
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Related reactions
8 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
292437
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
306379
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
308874
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
945687
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1224125
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1553503
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
1555891
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2138280
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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Compound notes
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