5-phenyl-1,3,5-dioxazinane

C9H11NO2 — CID 57157399

IUPAC5-phenyl-1,3,5-dioxazinane
SMILESc1ccc(N2COCOC2)cc1
InChIInChI=1S/C9H11NO2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5H,6-8H2
InChIKeyVJCQDNCTWGZCPJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.41
Rot. Bonds1

About 5-phenyl-1,3,5-dioxazinane

5-phenyl-1,3,5-dioxazinane (PubChem CID 57157399) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-phenyl-1,3,5-dioxazinane.

Molecular Properties

Compound Name5-phenyl-1,3,5-dioxazinane
PubChem CID57157399
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-phenyl-1,3,5-dioxazinane
SMILESc1ccc(N2COCOC2)cc1
InChIInChI=1S/C9H11NO2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5H,6-8H2
InChIKeyVJCQDNCTWGZCPJ-UHFFFAOYSA-N
XLogP1.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3,5-dioxazinane?
The IUPAC name of 5-phenyl-1,3,5-dioxazinane (CID 57157399) is 5-phenyl-1,3,5-dioxazinane.
What is the SMILES notation for 5-phenyl-1,3,5-dioxazinane?
The canonical SMILES for 5-phenyl-1,3,5-dioxazinane is c1ccc(N2COCOC2)cc1.
What is the InChIKey of 5-phenyl-1,3,5-dioxazinane?
The InChIKey is VJCQDNCTWGZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5H,6-8H2.
What are the key properties of 5-phenyl-1,3,5-dioxazinane?
5-phenyl-1,3,5-dioxazinane has a molecular weight of 165.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3,5-dioxazinane is sourced from PubChem (CID 57157399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).