Basic information
- CAS
55456-70-7- Standard SMILES
CC(C)NCC(O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1- InChIKey
AXDUMTIMPJKXRS-UHFFFAOYSA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270821
Names & identifiers
- Preferred name
- Flavone, 4'-(2-hydroxy-3-(isopropylamino)propoxy)-
- IUPAC
- 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]chromen-4-one
Names & synonyms
4'-(2-Hydroxy-3-(isopropylamino)propoxy)flavone55456-70-74'-(Isopropylamino-2-hydroxypropoxy)-flavon [German]FLAVONE, 4'-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-4'-(Isopropylamino-2-hydroxypropoxy)-flavonRefChem:345446DTXSID209707962-(4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
55456-70-7- PubChem CID
- 41449
- DTXSID
DTXSID20970796
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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