Basic information
- Standard SMILES
COc1cccc([C@]23CCCC[C@H]2O3)c1- InChIKey
GMTFMAPPOLHARI-CHWSQXEVSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
Names & identifiers
- Preferred name
- (R,R)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane
- IUPAC
- (1R,6R)-1-(3-methoxyphenyl)-7-oxabicyclo[4.1.0]heptane
Names & synonyms
SCHEMBL6851950GMTFMAPPOLHARI-CHWSQXEVSA-N(R,R)-1-(3-Methoxy-phenyl)-7-oxa-bicyclo[4.1.0]heptane
Database identifiers
- PubChem CID
- 59097191
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
1 records
Compound notes
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