2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane

C14H20O3 — CID 70936321

IUPAC2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
SMILESCCOc1ccc(C2OCC(C)(C)CO2)cc1
InChIInChI=1S/C14H20O3/c1-4-15-12-7-5-11(6-8-12)13-16-9-14(2,3)10-17-13/h5-8,13H,4,9-10H2,1-3H3
InChIKeyIJLRYHXPAOPZDE-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane

2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane (PubChem CID 70936321) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
PubChem CID70936321
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane
SMILESCCOc1ccc(C2OCC(C)(C)CO2)cc1
InChIInChI=1S/C14H20O3/c1-4-15-12-7-5-11(6-8-12)13-16-9-14(2,3)10-17-13/h5-8,13H,4,9-10H2,1-3H3
InChIKeyIJLRYHXPAOPZDE-UHFFFAOYSA-N
XLogP3.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane (CID 70936321) is 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane is CCOc1ccc(C2OCC(C)(C)CO2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is IJLRYHXPAOPZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-15-12-7-5-11(6-8-12)13-16-9-14(2,3)10-17-13/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane?
2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 236.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 70936321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).