Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-
Basic information
- CAS
87049-27-2- Standard SMILES
CC(=O)c1ccc(OCC(O)CN2CCC(O)(c3ccccc3)CC2)cc1OCC(O)CN1CCC(O)(c2ccccc2)CC1- InChIKey
OIQCVFZTONBNGP-UHFFFAOYSA-N- Molecular formula
- C36H46N2O7
- Average molar mass
- 618.8 g/mol
- Monoisotopic mass
- 618.33050181
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-
- IUPAC
- 1-[2,4-bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Names & synonyms
BRN 46281771-(2,4-Bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone87049-27-2Ethanone, 1-(2,4-bis(2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-RefChem:341023DTXSID1010072941-{2,4-Bis[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one
Database identifiers
- CAS
87049-27-2- PubChem CID
- 55636
- DTXSID
DTXSID101007294
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 892
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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