4-[2-[2-(4-Formylphenoxy)ethoxy]ethoxy]benzaldehyde
Basic information
- CAS
111550-46-0- Standard SMILES
O=Cc1ccc(OCCOCCOc2ccc(C=O)cc2)cc1- InChIKey
JAIPDYDZPPCMBT-UHFFFAOYSA-N- Molecular formula
- C18H18O5
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11542367
Names & identifiers
- Preferred name
- 4-[2-[2-(4-Formylphenoxy)ethoxy]ethoxy]benzaldehyde
- IUPAC
- 4-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]benzaldehyde
- English name
- 4,4'-(3-Oxapentanediyldioxy)dibenzaldehyde
- Molecular formula
- C18H18O5
- Molecular weight
- 314.33
Names & synonyms
111550-46-04-[2-[2-(4-formylphenoxy)ethoxy]ethoxy]benzaldehyde4-{2-[2-(4-FORMYLPHENOXY)ETHOXY]ETHOXY}BENZALDEHYDEBenzaldehyde,4,4'-[oxybis(2,1-ethanediyloxy)]bis-CHEMBL2380546DTXSID303972934,4'-[Oxybis(ethane-2,1-diyloxy)]dibenzaldehyde4,4'-{Oxybis[(ethane-2,1-diyl)oxy]}dibenzaldehyde4,4-(3-OXAPENTANEDIYLDIOXY) DIBENZALDE4,4'-(3-Oxapentanediyldioxy)dibenzaldehydeBenzaldehyde, 4,4'-[oxybis(2,1-ethanediyloxy)]bis-4-[2-ethoxy-1-(4-formylphenoxy)ethoxy]benzaldehyde
Database identifiers
- CAS
111550-46-0- PubChem CID
- 3849600
- DTXSID
DTXSID30397293- ChEMBL
CHEMBL2380546- Nikkaji
- J1.709.297I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 142 · 142-143 °C
- Boiling point
- 499.5 · 499.5±40.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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