Basic information
- Standard SMILES
COc1cccc(OC)c1OCCCCBr- InChIKey
LOCKSTAKHWMOLZ-UHFFFAOYSA-N- Molecular formula
- C12H17BrO3
- Average molar mass
- 289.16 g/mol
- Monoisotopic mass
- 288.03611
Names & identifiers
- Preferred name
- 2-(4-Bromobutoxy)-1,3-dimethoxybenzene
- IUPAC
- 2-(4-bromobutoxy)-1,3-dimethoxybenzene
Names & synonyms
2-(4-bromobutoxy)-1,3-dimethoxybenzene188174-51-8SCHEMBL3079261LOCKSTAKHWMOLZ-UHFFFAOYSA-NNHA17451DA-088552-(4-bromobutoxy)-1,3-dimethoxy-benzeneCS-0239449EN300-213168
Database identifiers
- PubChem CID
- 43165151
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Related reactions
2 records
Compound notes
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