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

C17H14O3 — CID 3055722

IUPAC2-methyl-2,6-diphenyl-1,3-dioxin-4-one
SMILESCC1(c2ccccc2)OC(=O)C=C(c2ccccc2)O1
InChIInChI=1S/C17H14O3/c1-17(14-10-6-3-7-11-14)19-15(12-16(18)20-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyOIHDXRBWXKZXEL-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.47
Rot. Bonds2

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

2-methyl-2,6-diphenyl-1,3-dioxin-4-one (PubChem CID 3055722) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-2,6-diphenyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name2-methyl-2,6-diphenyl-1,3-dioxin-4-one
PubChem CID3055722
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name2-methyl-2,6-diphenyl-1,3-dioxin-4-one
SMILESCC1(c2ccccc2)OC(=O)C=C(c2ccccc2)O1
InChIInChI=1S/C17H14O3/c1-17(14-10-6-3-7-11-14)19-15(12-16(18)20-17)13-8-4-2-5-9-13/h2-12H,1H3
InChIKeyOIHDXRBWXKZXEL-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,6-diphenyl-1,3-dioxin-4-one?
The IUPAC name of 2-methyl-2,6-diphenyl-1,3-dioxin-4-one (CID 3055722) is 2-methyl-2,6-diphenyl-1,3-dioxin-4-one.
What is the SMILES notation for 2-methyl-2,6-diphenyl-1,3-dioxin-4-one?
The canonical SMILES for 2-methyl-2,6-diphenyl-1,3-dioxin-4-one is CC1(c2ccccc2)OC(=O)C=C(c2ccccc2)O1.
What is the InChIKey of 2-methyl-2,6-diphenyl-1,3-dioxin-4-one?
The InChIKey is OIHDXRBWXKZXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-17(14-10-6-3-7-11-14)19-15(12-16(18)20-17)13-8-4-2-5-9-13/h2-12H,1H3.
What are the key properties of 2-methyl-2,6-diphenyl-1,3-dioxin-4-one?
2-methyl-2,6-diphenyl-1,3-dioxin-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,6-diphenyl-1,3-dioxin-4-one is sourced from PubChem (CID 3055722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).