Phosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} ester

HCID 67010432

Basic information

Standard SMILES
COc1c(C)c2c(c(O)c1CC=C(C)COP(=O)(O)O)C(=O)OC2
InChIKey
INVMFCZDSNGFMH-UHFFFAOYSA-N
Molecular formula
C15H19O8P
Average molar mass
358.28 g/mol

Names & identifiers

Preferred name
Phosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} ester
IUPAC
[4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enyl] dihydrogen phosphate

Names & synonyms

SCHEMBL1375041INVMFCZDSNGFMH-UHFFFAOYSA-NPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl} esterPhosphoric acid mono-{4-[6-methoxy-7-methyl-3-oxo-4-hydroxy-1,3-dihydro-isobenzofuran-5-yl]-2-methyl-but-2-enyl}ester

Database identifiers

PubChem CID
67010432

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
123 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
24

Related reactions

4 records

Linked notes

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