2,3-diphenyl-1,4-dioxine

C16H12O2 — CID 67147273

IUPAC2,3-diphenyl-1,4-dioxine
SMILESC1=COC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C16H12O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
InChIKeyGJXOQWKOTPRJET-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.03
Rot. Bonds2

About 2,3-diphenyl-1,4-dioxine

2,3-diphenyl-1,4-dioxine (PubChem CID 67147273) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2,3-diphenyl-1,4-dioxine.

Molecular Properties

Compound Name2,3-diphenyl-1,4-dioxine
PubChem CID67147273
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name2,3-diphenyl-1,4-dioxine
SMILESC1=COC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C16H12O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H
InChIKeyGJXOQWKOTPRJET-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,4-dioxine?
The IUPAC name of 2,3-diphenyl-1,4-dioxine (CID 67147273) is 2,3-diphenyl-1,4-dioxine.
What is the SMILES notation for 2,3-diphenyl-1,4-dioxine?
The canonical SMILES for 2,3-diphenyl-1,4-dioxine is C1=COC(c2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of 2,3-diphenyl-1,4-dioxine?
The InChIKey is GJXOQWKOTPRJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 2,3-diphenyl-1,4-dioxine?
2,3-diphenyl-1,4-dioxine has a molecular weight of 236.27 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,4-dioxine is sourced from PubChem (CID 67147273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).