Basic information
- CAS
88960-36-5- Standard SMILES
O=C1OC(C2CCCCC2=O)C(Br)=C1Oc1ccccc1- InChIKey
RGLDVKFPMYBAIA-UHFFFAOYSA-N- Molecular formula
- C16H15BrO4
- Average molar mass
- 351.19 g/mol
- Monoisotopic mass
- 350.01537
Names & identifiers
- Preferred name
- 2(5H)-Furanone, 4-bromo-5-(2-oxocyclohexyl)-3-phenoxy-
- IUPAC
- 3-bromo-2-(2-oxocyclohexyl)-4-phenoxy-2H-furan-5-one
Names & synonyms
88960-36-54-bromo-5-(2-oxocyclohexyl)-3-phenoxyfuran-2(5H)-one2(5H)-Furanone, 4-bromo-5-(2-oxocyclohexyl)-3-phenoxy-DTXSID00408446STK661380AKOS005528546ST40038414-bromo-5-(2-oxocyclohexyl)-3-phenoxy-5-hydrofuran-2-one
Database identifiers
- CAS
88960-36-5- PubChem CID
- 5111006
- DTXSID
DTXSID00408446
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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