2-ethoxy-2-phenyl-1,3-dioxane

C12H16O3 — CID 86143567

IUPAC2-ethoxy-2-phenyl-1,3-dioxane
SMILESCCOC1(c2ccccc2)OCCCO1
InChIInChI=1S/C12H16O3/c1-2-13-12(14-9-6-10-15-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyFLIHMGWRLRYGPU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.27
Rot. Bonds3

About 2-ethoxy-2-phenyl-1,3-dioxane

2-ethoxy-2-phenyl-1,3-dioxane (PubChem CID 86143567) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethoxy-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethoxy-2-phenyl-1,3-dioxane
PubChem CID86143567
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethoxy-2-phenyl-1,3-dioxane
SMILESCCOC1(c2ccccc2)OCCCO1
InChIInChI=1S/C12H16O3/c1-2-13-12(14-9-6-10-15-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChIKeyFLIHMGWRLRYGPU-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-2-phenyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenyl-1,3-dioxane?
The IUPAC name of 2-ethoxy-2-phenyl-1,3-dioxane (CID 86143567) is 2-ethoxy-2-phenyl-1,3-dioxane.
What is the SMILES notation for 2-ethoxy-2-phenyl-1,3-dioxane?
The canonical SMILES for 2-ethoxy-2-phenyl-1,3-dioxane is CCOC1(c2ccccc2)OCCCO1.
What is the InChIKey of 2-ethoxy-2-phenyl-1,3-dioxane?
The InChIKey is FLIHMGWRLRYGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-2-13-12(14-9-6-10-15-12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3.
What are the key properties of 2-ethoxy-2-phenyl-1,3-dioxane?
2-ethoxy-2-phenyl-1,3-dioxane has a molecular weight of 208.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenyl-1,3-dioxane is sourced from PubChem (CID 86143567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).