Basic information
- CAS
85727-12-4- Standard SMILES
COc1c(OCC(O)CN2CCCCC2)c2c(C)coc2c2ccoc12- InChIKey
ZYHCHTRKHCAAPA-UHFFFAOYSA-N- Molecular formula
- C20H25NO5
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.1732729
Names & identifiers
- Preferred name
- 1-(5-Methoxy-3-methyl-benzo(1,2-b;3,4-b')difuran-4-yloxy)-3-piperidin-1-yl-propan-2-ol
- IUPAC
- 1-(5-methoxy-3-methylfuro[2,3-g][1]benzofuran-4-yl)oxy-3-piperidin-1-ylpropan-2-ol
Names & synonyms
NSC 36865285727-12-41-(5-Methoxy-3-methyl-benzo(1,2-b;3,4-b')difuran-4-yloxy)-3-piperidin-1-yl-propan-2-olNSC3686521-(5-Methoxy-3-methyl-benzo[1,2-b3,4-b']difuran-4-yloxy)-3-piperidin-1-yl-propan-2-ol1-(5-methoxy-3-methyl-furo[2,3-g]benzofuran-4-yl)oxy-3-(1-piperidyl)propan-2-ol
Database identifiers
- CAS
85727-12-4- PubChem CID
- 435362
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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