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

HCID 67010204

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

Related reactions

30 records

Linked notes

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