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Basic information
- Standard SMILES
COc1ccc2c(c1)OCCN(C)OC2c1cccc(Cl)c1- InChIKey
PFZGKMHQHBIQJU-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO3
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.0975211
Names & identifiers
- Preferred name
- 6-(3-chlorophenyl)-9-methoxy-4-methyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
- IUPAC
- 6-(3-chlorophenyl)-9-methoxy-4-methyl-3,6-dihydro-2H-1,5,4-benzodioxazocine
Names & synonyms
NSC353846NSC-3538466-(3-chlorophenyl)-9-methoxy-4-methyl-3,6-dihydro-2H-1,5,4-benzodioxazocine6-(3-Chlorophenyl)-4-methyl-3,4-dihydro-2H,6H-1,5,4-benzodioxazocin-9-yl methyl ether6-(3-Chlorophenyl)-9-methoxy-4-methyl-3,4-dihydro-2H,6H-1,5,4-benzodioxazocine
Database identifiers
- PubChem CID
- 337103
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
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Compound notes
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