2,5-dimethyl-3,6-diphenyl-1,4-dioxine

C18H16O2 — CID 86144116

IUPAC2,5-dimethyl-3,6-diphenyl-1,4-dioxine
SMILESCC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyLMESKVJKEFLHPN-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.81
Rot. Bonds2

About 2,5-dimethyl-3,6-diphenyl-1,4-dioxine

2,5-dimethyl-3,6-diphenyl-1,4-dioxine (PubChem CID 86144116) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,5-dimethyl-3,6-diphenyl-1,4-dioxine.

Molecular Properties

Compound Name2,5-dimethyl-3,6-diphenyl-1,4-dioxine
PubChem CID86144116
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2,5-dimethyl-3,6-diphenyl-1,4-dioxine
SMILESCC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKeyLMESKVJKEFLHPN-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The IUPAC name of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine (CID 86144116) is 2,5-dimethyl-3,6-diphenyl-1,4-dioxine.
What is the SMILES notation for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The canonical SMILES for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine is CC1=C(c2ccccc2)OC(C)=C(c2ccccc2)O1.
What is the InChIKey of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
The InChIKey is LMESKVJKEFLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-17(15-9-5-3-6-10-15)20-14(2)18(19-13)16-11-7-4-8-12-16/h3-12H,1-2H3.
What are the key properties of 2,5-dimethyl-3,6-diphenyl-1,4-dioxine?
2,5-dimethyl-3,6-diphenyl-1,4-dioxine has a molecular weight of 264.32 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,6-diphenyl-1,4-dioxine is sourced from PubChem (CID 86144116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).