(6aR)-6-(2-chloroethyl)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Basic information
- CAS
73378-11-7- Standard SMILES
COc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CCCl)CC3- InChIKey
MIIXMAVYCIYXOG-OAHLLOKOSA-N- Molecular formula
- C19H20ClNO2
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.1182566
Names & identifiers
- Preferred name
- (6aR)-6-(2-chloroethyl)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
- IUPAC
- (6aR)-6-(2-chloroethyl)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Names & synonyms
NSC29110273378-11-7DTXSID00315020NSC-291102(6aR)-6-(2-chloroethyl)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol4H-Dibenzo[de, 6-(2-chloroethyl)-5,6,6a,7-tetrahydro-10-methoxy-, (R)-
Database identifiers
- CAS
73378-11-7- PubChem CID
- 324772
- DTXSID
DTXSID00315020
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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