Basic information
- Standard SMILES
COc1ccc(COc2ccc(C#N)cc2CC=CBr)cc1- InChIKey
CBVXXAVOTHMPGJ-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO2
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.03644
Names & identifiers
- Preferred name
- 3-Cyano-6-((4-methoxybenzyl)oxy)-1-(3-bromoprop-2-en-1-yl)benzene
- IUPAC
- 3-(3-bromoprop-2-enyl)-4-[(4-methoxyphenyl)methoxy]benzonitrile
Names & synonyms
SCHEMBL7388866CBVXXAVOTHMPGJ-UHFFFAOYSA-N3-cyano-6-((4-methoxybenzyl)oxy)-1-(3-bromoprop-2-en-1-yl)benzene
Database identifiers
- PubChem CID
- 73437151
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
Related reactions
1 records
Compound notes
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