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Basic information
- Standard SMILES
OC1(C#Cc2ccc(OCCOc3ccccc3)cc2)CN2CCC1CC2- InChIKey
ZJFCIEZUDNXJFH-UHFFFAOYSA-N- Molecular formula
- C23H25NO3
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.18344366
Names & identifiers
- Preferred name
- 3-[2-(4-{2-Phenoxyethoxy}phenyl)ethynyl]quinuclidin-3-ol
- IUPAC
- 3-[2-[4-(2-phenoxyethoxy)phenyl]ethynyl]-1-azabicyclo[2.2.2]octan-3-ol
Names & synonyms
SCHEMBL8968959ZJFCIEZUDNXJFH-UHFFFAOYSA-N3-[2-(4-{2-phenoxyethoxy}phenyl)ethynyl]quinuclidin-3-ol
Database identifiers
- PubChem CID
- 67740323
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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