Basic information
- Standard SMILES
CC(=O)Oc1c(C)c(-c2cc3cc(O)ccc3o2)oc(=O)c1C- InChIKey
DUKCCGMPEZTBNS-UHFFFAOYSA-N- Molecular formula
- C17H14O6
- Average molar mass
- 314.29 g/mol
Names & identifiers
- Preferred name
- 4-acetyloxy-3,5-dimethyl-6-(5-hydroxybenzofuran-2-yl)-2H-pyran-2-one
- IUPAC
- [2-(5-hydroxy-1-benzofuran-2-yl)-3,5-dimethyl-6-oxopyran-4-yl] acetate
Names & synonyms
SCHEMBL6596557DUKCCGMPEZTBNS-UHFFFAOYSA-N4-acetyloxy-3,5-dimethyl-6-(5-hydroxybenzofuran-2-yl)-2H-pyran-2-one
Database identifiers
- PubChem CID
- 18505890
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 602
Related reactions
1 records
Compound notes
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