1,6-diphenylhexane-1,4-dione

C18H18O2 — CID 70896086

IUPAC1,6-diphenylhexane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H18O2/c19-17(12-11-15-7-3-1-4-8-15)13-14-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyGWJLKZYHQZWFOS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.85
Rot. Bonds7

About 1,6-diphenylhexane-1,4-dione

1,6-diphenylhexane-1,4-dione (PubChem CID 70896086) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,6-diphenylhexane-1,4-dione.

Molecular Properties

Compound Name1,6-diphenylhexane-1,4-dione
PubChem CID70896086
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1,6-diphenylhexane-1,4-dione
SMILESO=C(CCC(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C18H18O2/c19-17(12-11-15-7-3-1-4-8-15)13-14-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyGWJLKZYHQZWFOS-UHFFFAOYSA-N
XLogP3.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-diphenyloctane-1,4,8-trione
CID 140639847
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-phenylnonane-1,4-dione
CID 570990
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
4-oxo-4-phenylbutanethioyl chloride
CID 20539697
2,2-dideuterio-1,3-diphenylpropan-1-one
CID 23727371
7-chloro-1-phenylheptan-3-one
CID 57471587
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
4-oxo-4-phenylbutanoyl chloride
CID 10932389

Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylhexane-1,4-dione?
The IUPAC name of 1,6-diphenylhexane-1,4-dione (CID 70896086) is 1,6-diphenylhexane-1,4-dione.
What is the SMILES notation for 1,6-diphenylhexane-1,4-dione?
The canonical SMILES for 1,6-diphenylhexane-1,4-dione is O=C(CCC(=O)c1ccccc1)CCc1ccccc1.
What is the InChIKey of 1,6-diphenylhexane-1,4-dione?
The InChIKey is GWJLKZYHQZWFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-17(12-11-15-7-3-1-4-8-15)13-14-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 1,6-diphenylhexane-1,4-dione?
1,6-diphenylhexane-1,4-dione has a molecular weight of 266.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylhexane-1,4-dione is sourced from PubChem (CID 70896086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).