Basic information
- Standard SMILES
COc1cccc2c1OC1C3CCC4(CN(Cc5ccccc5)CCC214)C(CO)C3- InChIKey
KIHAKXRUKOWBGQ-UHFFFAOYSA-N- Molecular formula
- C26H31NO3
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-5-hydroxymethyl-9-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethanobenzofuro[3,2-e]isoquinoline
- IUPAC
- (3-benzyl-11-methoxy-13-oxa-3-azapentacyclo[13.2.2.01,6.06,14.07,12]nonadeca-7(12),8,10-trien-17-yl)methanol
Names & synonyms
SCHEMBL10663700KIHAKXRUKOWBGQ-UHFFFAOYSA-N3-benzyl-5-hydroxymethyl-9-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-ethanobenzofuro[3,2-e]isoquinoline
Database identifiers
- PubChem CID
- 21294471
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
Related reactions
2 records
Compound notes
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