1H-Benzo(de)quinolin-8-ol, 2,3,7,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, trans-
Basic information
- CAS
41829-08-7- Standard SMILES
COc1cc2c3c(c1OC)C[C@H](O)C[C@@H]3N(C)CC2- InChIKey
LHDBJYUJLQFBKJ-JQWIXIFHSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 1H-Benzo(de)quinolin-8-ol, 2,3,7,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, trans-
- IUPAC
- (8S,9aS)-5,6-dimethoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-8-ol
Names & synonyms
BRN 14778931H-Benzo(de)quinolin-8-ol, 2,3,7,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, trans-41829-08-7DTXSID401946342,3,7,8,9,9a-beta-Hexahydro-8-alpha-hydroxy-5,6-dimethoxy-1-methyl-1H-benzo(de)-chinolinRefChem:237655DTXCID80117125(8S,9aS)-5,6-Dimethoxy-1-methyl-2,3,7,8,9,9a-hexahydro-1H-benzo[de]quinolin-8-ol
Database identifiers
- CAS
41829-08-7- PubChem CID
- 3038697
- DTXSID
DTXSID40194634
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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