Basic information
- Standard SMILES
C=CCCOc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OC)cc2)cc1- InChIKey
QBLVDHOINDPTGM-VGOFMYFVSA-N- Molecular formula
- C21H20O5
- Average molar mass
- 352.4 g/mol
Names & identifiers
- Preferred name
- 4-[(e)-2-Methoxycarbonyl-vinyl]-phenyl 4-(but-3-enyloxy)-benzoate
- IUPAC
- [4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-but-3-enoxybenzoate
Names & synonyms
SCHEMBL7690737QBLVDHOINDPTGM-VGOFMYFVSA-N4-[(e)-2-methoxycarbonyl-vinyl]-phenyl 4-(but-3-enyloxy)-benzoate
Database identifiers
- PubChem CID
- 18329196
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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