Basic information
- Standard SMILES
O=C1CC(C2CCCOC2)Oc2ccc(Br)cc21- InChIKey
MGBYSURBECMHAR-UHFFFAOYSA-N- Molecular formula
- C14H15BrO3
- Average molar mass
- 311.17 g/mol
Names & identifiers
- Preferred name
- 6-bromo-2-(tetrahydro-2H-pyran-3-yl)chroman-4-one
- IUPAC
- 6-bromo-2-(oxan-3-yl)-2,3-dihydrochromen-4-one
Names & synonyms
6-bromo-2-(tetrahydro-2H-pyran-3-yl)chroman-4-one1212012-27-5SCHEMBL1824234MGBYSURBECMHAR-UHFFFAOYSA-NDB-0846986-Bromo-2-tetrahydropyran-3-yl-chroman-4-one
Database identifiers
- PubChem CID
- 58424147
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
17 records
Compound notes
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