Basic information
- CAS
58330-11-3- Standard SMILES
COc1ccc(C(=O)CC(=O)C(=O)CC(=O)c2ccccc2)cc1- InChIKey
HUPUFFIISSXCQB-UHFFFAOYSA-N- Molecular formula
- C19H16O5
- Average molar mass
- 324.3 g/mol
- Monoisotopic mass
- 324.09977361
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-6-phenyl-1,3,4,6-hexanetetrone
- IUPAC
- 1-(4-methoxyphenyl)-6-phenylhexane-1,3,4,6-tetrone
- English name
- 1-(4-Methoxyphenyl)-6-phenyl-1,3,4,6-hexanetetrone
- Molecular formula
- C19H16O5
- Molecular weight
- 324.33
Names & synonyms
1-(4-Methoxyphenyl)-6-phenyl-1,3,4,6-hexanetetroneDTXSID7034496858330-11-3RefChem:225374DTXCID002960421-(4-methoxyphenyl)-6-phenylhexane-1,3,4,6-tetrone1,3,4,6-Hexanetetrone, 1-(4-methoxyphenyl)-6-phenyl-HUPUFFIISSXCQB-UHFFFAOYSA-NDB-2588351-(4-Methoxyphenyl)-6-phenyl-1,3,4,6-hexanetetrone #
Database identifiers
- CAS
58330-11-3- PubChem CID
- 600804
- DTXSID
DTXSID70344968- Nikkaji
- J131.164F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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