Flavone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-
Basic information
- CAS
55456-71-8- Standard SMILES
CC(C)(C)NCC(O)COc1ccc(-c2cc(=O)c3ccccc3o2)cc1- InChIKey
CHWRJTDXQNPRBQ-UHFFFAOYSA-N- Molecular formula
- C22H25NO4
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.17835828
Names & identifiers
- Preferred name
- Flavone, 4'-(3-(tert-butylamino)-2-hydroxypropoxy)-
- IUPAC
- 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]chromen-4-one
Names & synonyms
4'-(3-(tert-Butylamino)-2-hydroxypropoxy)flavone55456-71-84'-(3-tert-Butylamino-2-hydroxypropoxy)-flavon [German]FLAVONE, 4'-(3-(tert-BUTYLAMINO)-2-HYDROXYPROPOXY)-4'-(3-tert-Butylamino-2-hydroxypropoxy)-flavonRefChem:345447DTXSID809707972-{4-[3-(tert-Butylamino)-2-hydroxypropoxy]phenyl}-4H-1-benzopyran-4-one
Database identifiers
- CAS
55456-71-8- PubChem CID
- 41450
- DTXSID
DTXSID80970797
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
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Compound notes
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