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Ethyl 2-ethoxy-3-(2-methyl-4-phenylmethoxyphenyl)prop-2-enoate (HCID 69280491)|Huagongshe
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Compound
Ethyl 2-ethoxy-3-(2-methyl-4-phenylmethoxyphenyl)prop-2-enoate
HCID
69280491
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C(=Cc1ccc(OCc2ccccc2)cc1C)OCC
InChIKey
FPPBXCYWCIEQEP-UHFFFAOYSA-N
Molecular formula
C21H24O4
Average molar mass
340.4 g/mol
Monoisotopic mass
340.16745924
Names & identifiers
Preferred name
Ethyl 2-ethoxy-3-(2-methyl-4-phenylmethoxyphenyl)prop-2-enoate
IUPAC
ethyl 2-ethoxy-3-(2-methyl-4-phenylmethoxyphenyl)prop-2-enoate
Names & synonyms
SCHEMBL5017434
Database identifiers
PubChem CID
69280491
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
426
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
194050
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
814319
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
942171
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
2132621
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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