2,6-diphenyl-1,3-dioxin-4-one

C16H12O3 — CID 2848445

IUPAC2,6-diphenyl-1,3-dioxin-4-one
SMILESO=C1C=C(c2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C16H12O3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,16H
InChIKeyHULKYRKCPSUWRI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.30
Rot. Bonds2

About 2,6-diphenyl-1,3-dioxin-4-one

2,6-diphenyl-1,3-dioxin-4-one (PubChem CID 2848445) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,6-diphenyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2,6-diphenyl-1,3-dioxin-4-one
PubChem CID2848445
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2,6-diphenyl-1,3-dioxin-4-one
SMILESO=C1C=C(c2ccccc2)OC(c2ccccc2)O1
InChIInChI=1S/C16H12O3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,16H
InChIKeyHULKYRKCPSUWRI-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-1,3-dioxin-4-one?
The IUPAC name of 2,6-diphenyl-1,3-dioxin-4-one (CID 2848445) is 2,6-diphenyl-1,3-dioxin-4-one.
What is the SMILES notation for 2,6-diphenyl-1,3-dioxin-4-one?
The canonical SMILES for 2,6-diphenyl-1,3-dioxin-4-one is O=C1C=C(c2ccccc2)OC(c2ccccc2)O1.
What is the InChIKey of 2,6-diphenyl-1,3-dioxin-4-one?
The InChIKey is HULKYRKCPSUWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c17-15-11-14(12-7-3-1-4-8-12)18-16(19-15)13-9-5-2-6-10-13/h1-11,16H.
What are the key properties of 2,6-diphenyl-1,3-dioxin-4-one?
2,6-diphenyl-1,3-dioxin-4-one has a molecular weight of 252.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-1,3-dioxin-4-one is sourced from PubChem (CID 2848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).