Basic information
- CAS
88763-24-0- Standard SMILES
COc1ccc2c(c1)[C@H](c1ccc(C)cc1)[C@@H]1CCCN[C@H]21- InChIKey
JCXQGCWQZGBYBF-DFQSSKMNSA-N- Molecular formula
- C20H23NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.17796436
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-7-methoxy-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5S,9bS)-7-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Names & synonyms
BRN 47031591H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-7-methoxy-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-88763-24-0RefChem:238601CHEMBL137023DTXSID801008362(4aS,5S,9bS)-7-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine7-methoxy-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Database identifiers
- CAS
88763-24-0- PubChem CID
- 55856
- DTXSID
DTXSID801008362- ChEMBL
CHEMBL137023
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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