HRID 498891As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
Basic information
- Standard SMILES
COC(=O)/C(C)=C(\c1cccc(OCc2ccccc2)c1)C1CC1- InChIKey
QWZGKZYRXLKECK-HKWRFOASSA-N- Molecular formula
- C21H22O3
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- (Z)-methyl 3-(3-(benzyloxy)phenyl)-3-cyclopropyl-2-methylacrylate
- IUPAC
- methyl (Z)-3-cyclopropyl-2-methyl-3-(3-phenylmethoxyphenyl)prop-2-enoate
Names & synonyms
SCHEMBL15972837QWZGKZYRXLKECK-HKWRFOASSA-N(Z)-methyl 3-(3-(benzyloxy)phenyl)-3-cyclopropyl-2-methylacrylate
Database identifiers
- PubChem CID
- 90357629
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
5 records
HRID 498892As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
HRID 498893As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
HRID 498894As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
HRID 498895As productDevelopment of an automated kinetic profiling system with online HPLC for reaction optimization
Compound notes
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