Basic information
- Standard SMILES
COc1cc(C2CC(O)Oc3c2ccc2cnccc32)cc(Br)c1OC- InChIKey
YTEPWWMVCCUJQG-UHFFFAOYSA-N- Molecular formula
- C20H18BrNO4
- Average molar mass
- 416.3 g/mol
- Monoisotopic mass
- 415.04192
Names & identifiers
- Preferred name
- 4-(3-Bromo-4,5-dimethoxyphenyl)-2-hydroxy-pyrido[3,4-h]chroman
- IUPAC
- 4-(3-bromo-4,5-dimethoxyphenyl)-3,4-dihydro-2H-pyrano[2,3-f]isoquinolin-2-ol
Names & synonyms
SCHEMBL4326396YTEPWWMVCCUJQG-UHFFFAOYSA-N4-(3-Bromo-4,5-dimethoxyphenyl)-2-hydroxy-pyrido[3,4-h]chroman
Database identifiers
- PubChem CID
- 10387175
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
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