6aalpha-Aporphin-1-ol,11-dimethoxy-
Basic information
- CAS
568-21-8- Standard SMILES
COc1cc2c3c(c1O)-c1c(cccc1OC)CC3N(C)CC2- InChIKey
RQCOQZNIQLKGTN-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 6aalpha-Aporphin-1-ol,11-dimethoxy-
- IUPAC
- 2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Names & synonyms
ChemDiv2_000753Oprea1_254994SCHEMBL11242929HMS1371C05CCG-18659NSC290957AKOS000591157WAY-3104626a.alpha.-Aporphin-1-ol,11-dimethoxy-AN-038/212010014H-Dibenzo[de, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (S)-
Database identifiers
- CAS
568-21-8- PubChem CID
- 324708
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
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Compound notes
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