[5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester

HCID 76548828

Basic information

Standard SMILES
CCOP(=O)(O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O
InChIKey
KYCAHRWYAYRWLS-UHFFFAOYSA-N
Molecular formula
C18H25O7P
Average molar mass
384.4 g/mol

Names & identifiers

Preferred name
[5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester
IUPAC
ethoxy-[5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-3-methylpent-3-enyl]phosphinic acid

Names & synonyms

SCHEMBL1374487KYCAHRWYAYRWLS-UHFFFAOYSA-N[5-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid monoethyl ester

Database identifiers

PubChem CID
76548828

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
26

Related reactions

10 records

Compound notes

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