Basic information
- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)c1ccncc1-2- InChIKey
WISKNMYMNRQYOL-UHFFFAOYSA-N- Molecular formula
- C23H31NO2
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.23547923
Names & identifiers
- Preferred name
- 5,5-Dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-5H-[1]benzopyrano[3,4-d]pyridine
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)chromeno[4,3-c]pyridin-10-ol
Names & synonyms
SCHEMBL9285694CHEMBL3273444WISKNMYMNRQYOL-UHFFFAOYSA-N10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-5H-[1]benzopyrano[4,3-c]-pyridine5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-5H-[1]benzopyrano [3,4-d]pyridine5,5-Dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-5H-[1]benzopyrano[3,4-d]pyridine
Database identifiers
- PubChem CID
- 19781402
- ChEMBL
CHEMBL3273444
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
17 records
Compound notes
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