2-(3-Formyl-4-methoxybenzyl)-3-methyl-4-hydroxy-5-propyl-benzofuran
Basic information
- Standard SMILES
CCCc1ccc2oc(Cc3ccc(OC)c(C=O)c3)c(C)c2c1O- InChIKey
HMGNDVSURGHBIE-UHFFFAOYSA-N- Molecular formula
- C21H22O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.15180918
Names & identifiers
- Preferred name
- 2-(3-Formyl-4-methoxybenzyl)-3-methyl-4-hydroxy-5-propyl-benzofuran
- IUPAC
- 5-[(4-hydroxy-3-methyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methoxybenzaldehyde
Names & synonyms
SCHEMBL9741232HMGNDVSURGHBIE-UHFFFAOYSA-N2-(3 formyl-4-methoxybenzyl)-3-methyl-4-hydroxy-5-propyl-benzofuran2-(3-formyl-4-methoxybenzyl)-3-methyl-4-hydroxy-5-propyl-benzofuran
Database identifiers
- PubChem CID
- 15029652
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
3 records
Compound notes
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