Basic information
- Standard SMILES
COC(=O)C(CC=CCBr)CC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O- InChIKey
FOFPUDHYVLQULX-UHFFFAOYSA-N- Molecular formula
- C22H27BrO6
- Average molar mass
- 467.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
- IUPAC
- methyl 2-(4-bromobut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Names & synonyms
SCHEMBL1374252FOFPUDHYVLQULX-UHFFFAOYSA-N2-(4-bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
Database identifiers
- PubChem CID
- 67010204
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 631
Related reactions
30 records
Linked notes
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