Basic information
- Standard SMILES
COc1cc(C=C2COCC(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC- InChIKey
WDUOPQZLRWPGTF-UHFFFAOYSA-N- Molecular formula
- C25H28O8
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- Tetrahydro-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]-4H-pyran-4-one
- IUPAC
- 3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]oxan-4-one
Names & synonyms
SCHEMBL11610072WDUOPQZLRWPGTF-UHFFFAOYSA-NTetrahydro-3,5-bis[(3,4,5-trimethoxyphenyl)methylene]-4H-pyran-4-one
Database identifiers
- PubChem CID
- 2740872
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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