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Basic information
- Standard SMILES
COc1cc2c(cc1C(C)c1ccc(Br)cc1)OCO2- InChIKey
PVJDQUXSJBSMJX-UHFFFAOYSA-N- Molecular formula
- C16H15BrO3
- Average molar mass
- 335.19 g/mol
- Monoisotopic mass
- 334.02046
Names & identifiers
- Preferred name
- 5-[1-(4-Bromophenyl)ethyl]-6-methoxy-1,3-benzodioxole
- IUPAC
- 5-[1-(4-bromophenyl)ethyl]-6-methoxy-1,3-benzodioxole
Names & synonyms
NSC359295CHEMBL48847NSC-359295
Database identifiers
- PubChem CID
- 338142
- ChEMBL
CHEMBL48847
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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