Basic information
- CAS
88823-42-1- Standard SMILES
Cc1ccc([C@H]2c3cc(O)ccc3[C@@H]3[C@H]2CCCN3C)cc1- InChIKey
SPIAGQKDAKNOMM-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-1-methyl-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5S,9bS)-1-methyl-5-(4-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-7-ol
Names & synonyms
1H-Indeno(1,2-b)pyridin-7-ol, 2,3,4,4a,5,9b-hexahydro-1-methyl-5-(4-methylphenyl)-, (4a-alpha,5-beta,9b-alpha)-88823-42-1RefChem:1058136BRN 5758469CHEMBL342589
Database identifiers
- CAS
88823-42-1- PubChem CID
- 55880
- ChEMBL
CHEMBL342589
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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