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Basic information
- CAS
56720-22-0- Standard SMILES
COc1cc(C=C2CCC(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O- InChIKey
RZFRGTCAMDRPMQ-UHFFFAOYSA-N- Molecular formula
- C23H24O7
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.1522031
Names & identifiers
- Preferred name
- Cyclopentanone, 2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-
- IUPAC
- 2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
Names & synonyms
2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one56720-22-0SCHEMBL6853712DTXSID80327944Cyclopentanone, 2,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-AKOS034379987NCI60_037656
Database identifiers
- CAS
56720-22-0- PubChem CID
- 397496
- DTXSID
DTXSID80327944
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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