Basic information
- CAS
17537-28-9- Standard SMILES
COc1cc(C=CC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC- InChIKey
QMBQAUFXKZCNOT-UHFFFAOYSA-N- Molecular formula
- C23H26O7
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.16785317
Names & identifiers
- Preferred name
- 1,5-Bis(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
- IUPAC
- 1,5-bis(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
Names & synonyms
1,5-bis(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-oneDTXSID6032762417537-28-9RefChem:221185DTXCID30278735SCHEMBL27439093,4,5-trimethoxyphenylvinylketoneQMBQAUFXKZCNOT-UHFFFAOYSA-N3,4,5-trimethoxyphenylvinyl ketone
Database identifiers
- CAS
17537-28-9- PubChem CID
- 383405
- DTXSID
DTXSID60327624
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 500
Related reactions
5 records
Compound notes
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