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Basic information
- CAS
60853-13-6- Standard SMILES
COc1cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O- InChIKey
POWBSRUMKJEPOH-UHFFFAOYSA-N- Molecular formula
- C23H24O8
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.14711772
Names & identifiers
- Preferred name
- 1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
- IUPAC
- 1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
Names & synonyms
1,7-bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dioneSCHEMBL14875131DTXSID90873745CHEBI:17665860853-13-6NCI60_0376511,7-bis(4-hydroxy-3,5-dimethoxy phenyl)- 1,6-hepta diene-3,5-dione
Database identifiers
- CAS
60853-13-6- PubChem CID
- 397490
- DTXSID
DTXSID90873745- ChEBI
CHEBI:176658
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
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Compound notes
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