Basic information
- Standard SMILES
COc1ccc2c(c1)CCc1cc(OC)ccc1C2=CBr- InChIKey
DUGKTKAPLKHYLE-UHFFFAOYSA-N- Molecular formula
- C18H17BrO2
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 344.04119
Names & identifiers
- Preferred name
- 5-bromomethylene-2,8-dimethoxy-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
- IUPAC
- 2-(bromomethylidene)-6,13-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Names & synonyms
SCHEMBL4159125DUGKTKAPLKHYLE-UHFFFAOYSA-N5-bromomethylene-2,8-dimethoxy-10,11-dihydro-5H-dibenzo[a,d]cycloheptene
Database identifiers
- PubChem CID
- 68936313
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
3 records
Compound notes
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