Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl
Basic information
- CAS
39544-02-0- Standard SMILES
CCc1cc2c(C(C)=O)ccc(OCC(O)CNC(C)C)c2o1- InChIKey
BRVULYXDWZNOSX-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- Ketone, 2-ethyl-7-(2-hydroxy-3-(isopropylamino)propoxy)-4-benzofuranyl methyl
- IUPAC
- 1-[2-ethyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-4-yl]ethanone
- English name
- 1-[2-Ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)-4-benzofuranyl]ethanone
- Molecular weight
- 0
Names & synonyms
39544-02-02-Ethyl-4-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran1-(2-Ethyl-7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-benzofuranyl)ethanoneEthanone, 1-(2-ethyl-7-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-4-benzofuranyl)-KETONE, 2-ETHYL-7-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-4-BENZOFURANYL METHYLRefChem:350399SCHEMBL11749096DTXSID409601541-(2-Ethyl-7-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-1-benzofuran-4-yl)ethan-1-one1-[2-Ethyl-7-(2-hydroxy-3-isopropylaminopropoxy)-4-benzofuranyl]ethanone
Database identifiers
- CAS
39544-02-0- PubChem CID
- 38291
- DTXSID
DTXSID40960154- Nikkaji
- J71.221C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 458.42 °C · 458.42°C (rough estimate)
- Density
- 1.1745 · 1.1745 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
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Related reactions
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Compound notes
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