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

Related Compounds

2-ethoxy-2-phenyl-1,3-dioxane-4,6-dione
CID 154445395
triethoxy-(2-phenyloxan-2-yl)silane
CID 175435883
1-(2-ethoxy-2-phenyloxan-3-yl)-1,2,4-triazole
CID 118473658
(1S,2R,5S,6R)-2,6-diethoxy-1,5-dimethyl-2,6-diphenyl-3,7-dioxabicyclo[3.3.1]nonane
CID 101398010
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
(1-ethoxycyclohexyl)selanylbenzene
CID 134893569
1-ethoxy-4-phenylbicyclo[2.2.2]octane
CID 71328656
[(1R,2R)-1,2-diethoxy-2-methylcyclopropyl]benzene
CID 102019429
[(1R,2S)-2-chloro-1-ethoxycyclopropyl]benzene
CID 130756421
(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
CID 15361394

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).