3-Ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylbenzaldehyde
Basic information
- CAS
662159-44-6- Standard SMILES
C=CCc1cc(C=O)cc(OCC)c1OCc1ccc(I)cc1- InChIKey
HJRMKECZYIRGCK-UHFFFAOYSA-N- Molecular formula
- C19H19IO3
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.03789
Names & identifiers
- Preferred name
- 3-Ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylbenzaldehyde
- IUPAC
- 3-ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylbenzaldehyde
- English name
- 3-allyl-5-ethoxy-4-[(4-iodobenzyl)oxy]benzaldehyde
- Molecular formula
- C19H19IO3
- Molecular weight
- 422.25683
Names & synonyms
3-ethoxy-4-[(4-iodophenyl)methoxy]-5-prop-2-enylbenzaldehyde3-ethoxy-4-[(4-iodobenzyl)oxy]-5-(prop-2-en-1-yl)benzaldehydeAN-648/420238963-allyl-5-ethoxy-4-[(4-iodobenzyl)oxy]benzaldehydeSTL376297AKOS000103543ST51017918
Database identifiers
- CAS
662159-44-6- PubChem CID
- 1019099
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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