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
- Formal charge
- 0
- Complexity
- 576
Related reactions
10 records
Compound notes
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