[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phosphonic Acid Dimethyl Ester

HCID 75023209

Basic information

Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CP(=O)(OC)OC)C(=O)OC2
InChIKey
KPOOKSMWSHKVEC-UHFFFAOYSA-N
Molecular formula
C17H23O7P
Average molar mass
370.3 g/mol

Names & identifiers

Preferred name
[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phosphonic Acid Dimethyl Ester
IUPAC
6-(4-dimethoxyphosphoryl-3-methylbut-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-2-benzofuran-1-one

Names & synonyms

SCHEMBL1374436KPOOKSMWSHKVEC-UHFFFAOYSA-N[4-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyl]-phosphonic Acid Dimethyl Ester

Database identifiers

PubChem CID
75023209

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
91.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
25

Related reactions

19 records

Linked notes

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