5-methyl-4-phenyl-1,3-dioxane

C11H14O2 — CID 12669607

IUPAC5-methyl-4-phenyl-1,3-dioxane
SMILESCC1COCOC1c1ccccc1
InChIInChI=1S/C11H14O2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyKNYICOMGRQTGKP-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.37
Rot. Bonds1

About 5-methyl-4-phenyl-1,3-dioxane

5-methyl-4-phenyl-1,3-dioxane (PubChem CID 12669607) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methyl-4-phenyl-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-4-phenyl-1,3-dioxane
PubChem CID12669607
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name5-methyl-4-phenyl-1,3-dioxane
SMILESCC1COCOC1c1ccccc1
InChIInChI=1S/C11H14O2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyKNYICOMGRQTGKP-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-1,3-dioxane?
The IUPAC name of 5-methyl-4-phenyl-1,3-dioxane (CID 12669607) is 5-methyl-4-phenyl-1,3-dioxane.
What is the SMILES notation for 5-methyl-4-phenyl-1,3-dioxane?
The canonical SMILES for 5-methyl-4-phenyl-1,3-dioxane is CC1COCOC1c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-1,3-dioxane?
The InChIKey is KNYICOMGRQTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-7-12-8-13-11(9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 5-methyl-4-phenyl-1,3-dioxane?
5-methyl-4-phenyl-1,3-dioxane has a molecular weight of 178.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-1,3-dioxane is sourced from PubChem (CID 12669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).