Basic information
- Standard SMILES
CC(CCCc1ccccc1)c1cc2c(cc1O)C1C(CO)CCCC1C(C)(C)N2- InChIKey
XQDHHWNBJODVFI-UHFFFAOYSA-N- Molecular formula
- C27H37NO2
- Average molar mass
- 407.6 g/mol
Names & identifiers
- Preferred name
- 5,6,6a,7,8,9,10,10a-Octahydro-2-hydroxy-10-hydroxymethyl-6,6-dimethyl-3-(1-methyl-4-phenylbutyl)benzo[c]quinoline
- IUPAC
- 10-(hydroxymethyl)-6,6-dimethyl-3-(5-phenylpentan-2-yl)-6a,7,8,9,10,10a-hexahydro-5H-phenanthridin-2-ol
Names & synonyms
SCHEMBL11495548XQDHHWNBJODVFI-UHFFFAOYSA-N5,6,6a,7,8,9,10,10a-octahydro-2-hydroxy-10-hydroxymethyl-6,6-dimethyl-3-(1-methyl-4-phenylbutyl)benzo[c]quinoline
Database identifiers
- PubChem CID
- 20337435
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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