1,3-Bis(2,5-dimethoxyphenyl)propane-1,3-dione
Basic information
- CAS
142472-17-1- Standard SMILES
COc1ccc(OC)c(C(=O)CC(=O)c2cc(OC)ccc2OC)c1- InChIKey
XFCQBWLXLBHTBI-UHFFFAOYSA-N- Molecular formula
- C19H20O6
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12598835
Names & identifiers
- Preferred name
- 1,3-Bis(2,5-dimethoxyphenyl)propane-1,3-dione
- IUPAC
- 1,3-bis(2,5-dimethoxyphenyl)propane-1,3-dione
Names & synonyms
1,3-bis(2,5-dimethoxyphenyl)propane-1,3-dione1,3-Bis(2,5-dimethoxyphenyl)-1,3-propanedione142472-17-1DTXSID801250711
Database identifiers
- CAS
142472-17-1- PubChem CID
- 15664667
- DTXSID
DTXSID801250711- Nikkaji
- J461.401A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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