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Phenylethyl o-methylcinnamate (HCID 53835941)|Huagongshe
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Compound
Phenylethyl o-methylcinnamate
HCID
53835941
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1ccccc1C=CC(=O)OCCc1ccccc1
InChIKey
GFQVMWYRTIEACP-UHFFFAOYSA-N
Molecular formula
C18H18O2
Average molar mass
266.3 g/mol
Names & identifiers
Preferred name
Phenylethyl o-methylcinnamate
IUPAC
2-phenylethyl 3-(2-methylphenyl)prop-2-enoate
Names & synonyms
phenylethyl o-methylcinnamate
SCHEMBL9641020
Database identifiers
PubChem CID
53835941
Properties
Computed structural properties
XLogP
4.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
315
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
973922
As product
uspto-grants-1991_11
HRID
2331416
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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