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Basic information
- Standard SMILES
COc1c(C(=O)C=Cc2ccccc2)c(OCCN2CCCC2)c(OC)c2occc12- InChIKey
MDTOKCDERKJGBF-UHFFFAOYSA-N- Molecular formula
- C25H27NO5
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.18892296
Names & identifiers
- Preferred name
- 1-[4,7-Dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
- IUPAC
- 1-[4,7-dimethoxy-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-5-yl]-3-phenylprop-2-en-1-one
Database identifiers
- PubChem CID
- 33459
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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