Basic information
- Standard SMILES
COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OCc1ccccc1- InChIKey
FQPLBJSICHQKGI-WXFUMESZSA-N- Molecular formula
- C26H35NO4
- Average molar mass
- 425.6 g/mol
Names & identifiers
- Preferred name
- (3R)-1-[(1R,2R)-2-[2-(3-benzyloxy-4-methoxy-phenyl)ethoxy]cyclohexyl]-3-pyrrolidinol
- IUPAC
- (3R)-1-[(1R,2R)-2-[2-(4-methoxy-3-phenylmethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol
Names & synonyms
SCHEMBL438510FQPLBJSICHQKGI-WXFUMESZSA-N(3R)-1-[(1R,2R)-2-[2-(3-benzyloxy-4-methoxy-phenyl)ethoxy]cyclohexyl]-3-pyrrolidinol
Database identifiers
- PubChem CID
- 66686409
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 512
Related reactions
5 records
Compound notes
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