Basic information
- Standard SMILES
C=CCOc1ccc(C(=O)Oc2ccc(OCCCCBr)cc2)cc1- InChIKey
KNLPADMMAWHTAL-UHFFFAOYSA-N- Molecular formula
- C20H21BrO4
- Average molar mass
- 405.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromobutoxy)phenyl 4-allyloxybenzoate
- IUPAC
- [4-(4-bromobutoxy)phenyl] 4-prop-2-enoxybenzoate
Names & synonyms
SCHEMBL8009962KNLPADMMAWHTAL-UHFFFAOYSA-N4-(4-Bromobutoxy)phenyl 4-allyloxybenzoate
Database identifiers
- PubChem CID
- 19348983
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
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