Basic information
- CAS
1678-17-7- Standard SMILES
COc1ccc(C(=O)CC(=O)CC(=O)c2ccccc2)cc1- InChIKey
LNAFUYNMMGWAEX-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-5-phenyl-1,3,5-pentanetrione
- IUPAC
- 1-(4-methoxyphenyl)-5-phenylpentane-1,3,5-trione
Names & synonyms
1678-17-71-(4-Methoxyphenyl)-5-phenyl-1,3,5-pentanetrioneDTXSID40285197RefChem:225371DTXCID602363481-(4-methoxyphenyl)-5-phenylpentane-1,3,5-trioneNSC40938LNAFUYNMMGWAEX-UHFFFAOYSA-NNSC-409381,3,5-Pentanethione, 1-(4-methoxyphenyl)-5-phenyl1-(4-Methoxyphenyl)-5-phenyl-1,3,5-pentanetrione #
Database identifiers
- CAS
1678-17-7- PubChem CID
- 237442
- DTXSID
DTXSID40285197
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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