butyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
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Basic information
- CAS
329225-63-0- Standard SMILES
CCCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1- InChIKey
NPJBSHGDWRDTOR-UHFFFAOYSA-N- Molecular formula
- C25H28O6
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.18858861
Names & identifiers
- Preferred name
- butyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
- IUPAC
- butyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetate
- English name
- butyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
- Molecular formula
- C25H28O6
- Molecular weight
- 424.49
Names & synonyms
butyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate329225-63-0butyl 2-[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl]oxyacetateSTL330966AKOS001638447ST030519AF-399/15287043SR-01000464546SR-01000464546-1butyl 2-{3-[4-(tert-butyl)phenoxy]-4-oxochromen-7-yloxy}acetatebutyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetatebutyl 2-((3-(4-(tert-butyl)phenoxy)-4-oxo-4H-chromen-7-yl)oxy)acetate
Show more names
Acetic acid, 2-[[3-[4-(1,1-dimethylethyl)phenoxy]-4-oxo-4H-1-benzopyran-7-yl]oxy]-, butyl ester
Database identifiers
- CAS
329225-63-0- PubChem CID
- 1562225
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Boiling point
- 527.6 · 527.6±50.0 °C(Predicted)
- Density
- 1.174 · 1.174±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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