6-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-one

HCID 67010482
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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 properties

XLogP
4
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
20

Related reactions

38 records
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Linked notes

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