2,5-diphenyl-1,3-dioxane-4,6-dione

C16H12O4 — CID 10683306

IUPAC2,5-diphenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1c1ccccc1
InChIInChI=1S/C16H12O4/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10,13,16H
InChIKeyQYFFYGCTWIPAON-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.57
Rot. Bonds2

About 2,5-diphenyl-1,3-dioxane-4,6-dione

2,5-diphenyl-1,3-dioxane-4,6-dione (PubChem CID 10683306) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,5-diphenyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,5-diphenyl-1,3-dioxane-4,6-dione
PubChem CID10683306
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2,5-diphenyl-1,3-dioxane-4,6-dione
SMILESO=C1OC(c2ccccc2)OC(=O)C1c1ccccc1
InChIInChI=1S/C16H12O4/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10,13,16H
InChIKeyQYFFYGCTWIPAON-UHFFFAOYSA-N
XLogP2.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2-phenyl-1,3-dioxane-4,6-dione;silane
CID 157111906
6-tert-butyl-3-phenyl-1,2,4-trioxan-5-one
CID 15141436
4-phenylpyrazole-3,5-dione
CID 57268798
(3R,5R)-3-amino-5-phenyloxolan-2-one
CID 12521195
(2R)-2,6-diphenyl-1,3-dioxin-4-one
CID 806114
5-phenyltetraoxolane
CID 102034769
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3-dioxane-4,6-dione?
The IUPAC name of 2,5-diphenyl-1,3-dioxane-4,6-dione (CID 10683306) is 2,5-diphenyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,5-diphenyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,5-diphenyl-1,3-dioxane-4,6-dione is O=C1OC(c2ccccc2)OC(=O)C1c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1,3-dioxane-4,6-dione?
The InChIKey is QYFFYGCTWIPAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-14-13(11-7-3-1-4-8-11)15(18)20-16(19-14)12-9-5-2-6-10-12/h1-10,13,16H.
What are the key properties of 2,5-diphenyl-1,3-dioxane-4,6-dione?
2,5-diphenyl-1,3-dioxane-4,6-dione has a molecular weight of 268.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 10683306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).