1,3-Diphenylhexane-1,4-dione

HCID 12754753CAS 80460-13-5
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Basic information

Standard SMILES
CCC(=O)C(CC(=O)c1ccccc1)c1ccccc1
InChIKey
ITGQJXIGMXQCJD-UHFFFAOYSA-N
Molecular formula
C18H18O2
Average molar mass
266.3 g/mol
Monoisotopic mass
266.13067982

Names & identifiers

Preferred name
1,3-Diphenylhexane-1,4-dione
IUPAC
1,3-diphenylhexane-1,4-dione

Names & synonyms

1,3-Diphenylhexane-1,4-dione80460-13-5SCHEMBL435667DTXSID805090011,3-Diphenyl-hexane-1,4-dioneITGQJXIGMXQCJD-UHFFFAOYSA-N

Database identifiers

CAS
80460-13-5
PubChem CID
12754753
DTXSID
DTXSID80509001

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
20

Related reactions

2 records
New reaction record

Linked notes

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