1-(4-Chlorophenyl)-6-(4-methoxyphenyl)-1,3,4,6-hexanetetrone
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Basic information
- CAS
58368-97-1- Standard SMILES
COc1ccc(C(=O)CC(=O)C(=O)CC(=O)c2ccc(Cl)cc2)cc1- InChIKey
XRRQCRBSPVJCHR-UHFFFAOYSA-N- Molecular formula
- C19H15ClO5
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.0608013
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-6-(4-methoxyphenyl)-1,3,4,6-hexanetetrone
- IUPAC
- 1-(4-chlorophenyl)-6-(4-methoxyphenyl)hexane-1,3,4,6-tetrone
- English name
- 1-(4-Chlorophenyl)-6-(4-methoxyphenyl)-1,3,4,6-hexanetetrone
- Molecular formula
- C19H15ClO5
- Molecular weight
- 358.77
Names & synonyms
1-(4-Chlorophenyl)-6-(4-methoxyphenyl)-1,3,4,6-hexanetetroneDTXSID3034496958368-97-1RefChem:225067DTXCID602960431-(4-chlorophenyl)-6-(4-methoxyphenyl)hexane-1,3,4,6-tetroneXRRQCRBSPVJCHR-UHFFFAOYSA-N1,3,4,6-Hexanetetrone, 1-(4-chlorophenyl)-6-(4-methoxyphenyl)-1-(4-Chlorophenyl)-6-(4-methoxyphenyl)-1,3,4,6-hexanetetrone #
Database identifiers
- CAS
58368-97-1- PubChem CID
- 600807
- DTXSID
DTXSID30344969- Nikkaji
- J131.168I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
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Compound notes
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