1,6-Bis(4-methoxyphenyl)hexane-1,6-dione
Basic information
- CAS
4280-49-3- Standard SMILES
COc1ccc(C(=O)CCCCC(=O)c2ccc(OC)cc2)cc1- InChIKey
JQRBVENMUYHRHT-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- 1,6-Bis(4-methoxyphenyl)hexane-1,6-dione
- IUPAC
- 1,6-bis(4-methoxyphenyl)hexane-1,6-dione
Names & synonyms
1,6-bis(4-methoxyphenyl)hexane-1,6-dione4280-49-3NSC226761,6-Bis(4-methoxyphenyl)-1,6-hexanedione1,6-Hexanedione,1,6-bis(4-methoxyphenyl)-SCHEMBL3171960DTXSID70962707NSC-22676STK527065AKOS005460386DS-008486
Database identifiers
- CAS
4280-49-3- PubChem CID
- 229241
- DTXSID
DTXSID70962707- Nikkaji
- J1.469.542G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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