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
- Formal charge
- 0
- Complexity
- 553
Related reactions
19 records
Linked notes
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