Basic information
- Standard SMILES
O=C1O[C@@H]2C[C@@]1(O)C[C@H]1OC(c3ccccc3)O[C@@H]21- InChIKey
CABHUIHIQVPQJH-ZTWVNJBMSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- (1R,2R,6R,8S)-8-hydroxy-4-phenyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
- IUPAC
- (1R,2R,6R,8S)-8-hydroxy-4-phenyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
Names & synonyms
SCHEMBL7203305CABHUIHIQVPQJH-ZTWVNJBMSA-N(1R,2R,6R,8S)-8-hydroxy-4-phenyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
Database identifiers
- PubChem CID
- 11032680
- Nikkaji
- J821.873K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Related reactions
1 records
Compound notes
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