6-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CBr)C(=O)OC2- InChIKey
QMWFPCPJRKJAIP-UHFFFAOYSA-N- Molecular formula
- C15H17BrO4
- Average molar mass
- 341.2 g/mol
Names & identifiers
- Preferred name
- 6-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one
- IUPAC
- 6-(4-bromo-3-methylbut-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-one
Names & synonyms
SCHEMBL1375169QMWFPCPJRKJAIP-UHFFFAOYSA-N6-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one
Database identifiers
- PubChem CID
- 67010482
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Related reactions
38 records
Compound notes
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