2-methyl-2-phenyl-1,4-dioxane

C11H14O2 — CID 154111008

IUPAC2-methyl-2-phenyl-1,4-dioxane
SMILESCC1(c2ccccc2)COCCO1
InChIInChI=1S/C11H14O2/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyYNCKVACVNVPSLU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.95
Rot. Bonds1

About 2-methyl-2-phenyl-1,4-dioxane

2-methyl-2-phenyl-1,4-dioxane (PubChem CID 154111008) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1,4-dioxane.

Molecular Properties

Compound Name2-methyl-2-phenyl-1,4-dioxane
PubChem CID154111008
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-2-phenyl-1,4-dioxane
SMILESCC1(c2ccccc2)COCCO1
InChIInChI=1S/C11H14O2/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyYNCKVACVNVPSLU-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1,4-dioxane?
The IUPAC name of 2-methyl-2-phenyl-1,4-dioxane (CID 154111008) is 2-methyl-2-phenyl-1,4-dioxane.
What is the SMILES notation for 2-methyl-2-phenyl-1,4-dioxane?
The canonical SMILES for 2-methyl-2-phenyl-1,4-dioxane is CC1(c2ccccc2)COCCO1.
What is the InChIKey of 2-methyl-2-phenyl-1,4-dioxane?
The InChIKey is YNCKVACVNVPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(9-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-methyl-2-phenyl-1,4-dioxane?
2-methyl-2-phenyl-1,4-dioxane has a molecular weight of 178.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1,4-dioxane is sourced from PubChem (CID 154111008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).