Basic information
- CAS
87049-31-8- Standard SMILES
CC(=O)c1cc(OCC(O)CN2CC=C(c3ccccc3)CC2)ccc1OCC(O)CN1CC=C(c2ccccc2)CC1- InChIKey
MUQNLEBTKABPCT-UHFFFAOYSA-N- Molecular formula
- C36H42N2O5
- Average molar mass
- 582.7 g/mol
- Monoisotopic mass
- 582.30937244
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)-
- IUPAC
- 1-[2,5-bis[2-hydroxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 46201481-(2,5-Bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)ethanone87049-31-8Ethanone, 1-(2,5-bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-2-hydroxypropoxy)phenyl)-RefChem:341058DTXSID9010072981-{2,5-Bis[2-hydroxy-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-31-8- PubChem CID
- 55641
- DTXSID
DTXSID901007298
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 925
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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