Basic information
- Standard SMILES
Cc1c(-c2cc3ccc(OCc4ccccc4)cc3o2)oc(=O)c(C)c1O- InChIKey
HQPZGEVXLWHGMI-UHFFFAOYSA-N- Molecular formula
- C22H18O5
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.11542367
Names & identifiers
- Preferred name
- 6-(6-(benzyloxy)benzofuran-2-yl)-3,5-dimethyl-4-hydroxy-2H-pyran-2-one
- IUPAC
- 4-hydroxy-3,5-dimethyl-6-(6-phenylmethoxy-1-benzofuran-2-yl)pyran-2-one
Names & synonyms
SCHEMBL6595179HQPZGEVXLWHGMI-UHFFFAOYSA-N6-(6-(benzyloxy)benzofuran-2-yl)-3,5-dimethyl-4-hydroxy-2H-pyran-2-one
Database identifiers
- PubChem CID
- 54729482
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 643
Related reactions
1 records
Compound notes
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