Ethanone, 1-(4,7-dimethoxy-2-benzofuranyl)-
Basic information
- CAS
64466-47-3- Standard SMILES
COc1ccc(OC)c2c(C(C)=O)coc12- InChIKey
WPRRXTIOQNEYAH-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- Ethanone, 1-(4,7-dimethoxy-2-benzofuranyl)-
- IUPAC
- 1-(4,7-dimethoxy-1-benzofuran-3-yl)ethanone
- English name
- 1-(4,7-Dimethoxy-2-benzofuranyl)ethanone
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
BRN 12488114,7-Dimethoxy-2-benzofuranyl methyl ketone1-(4,7-Dimethoxy-2-benzofuranyl)ethanone64466-47-3Ethanone, 1-(4,7-dimethoxy-2-benzofuranyl)-DTXSID70214713KETONE, 4,7-DIMETHOXY-2-BENZOFURANYL METHYL5-18-03-00244 (Beilstein Handbook Reference)RefChem:341151DTXCID00137204Ethanone, 1-(4,7-dimethoxy-2-benzofuranyl)-(9CI)1-(4,7-Dimethoxy-1-benzofuran-3-yl)ethan-1-one
Show more names
Ethanone, 1-(4,7-dimethoxy-2-benzofuranyl)- (9CI)
Database identifiers
- CAS
64466-47-3- PubChem CID
- 47369
- DTXSID
DTXSID70214713
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 321.16 °C · 321.16°C (rough estimate)
- Density
- 1.2313 · 1.2313 (rough estimate)
- refractive index
- 1.716 · 1.7160 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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