2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane

C14H20O3 — CID 66475162

IUPAC2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane
SMILESCc1cc(C)cc(OCCC2OCCCO2)c1
InChIInChI=1S/C14H20O3/c1-11-8-12(2)10-13(9-11)15-7-4-14-16-5-3-6-17-14/h8-10,14H,3-7H2,1-2H3
InChIKeyRVODFTNPAIUAAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane

2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane (PubChem CID 66475162) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane
PubChem CID66475162
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane
SMILESCc1cc(C)cc(OCCC2OCCCO2)c1
InChIInChI=1S/C14H20O3/c1-11-8-12(2)10-13(9-11)15-7-4-14-16-5-3-6-17-14/h8-10,14H,3-7H2,1-2H3
InChIKeyRVODFTNPAIUAAY-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane (CID 66475162) is 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane is Cc1cc(C)cc(OCCC2OCCCO2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane?
The InChIKey is RVODFTNPAIUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-8-12(2)10-13(9-11)15-7-4-14-16-5-3-6-17-14/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane?
2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane has a molecular weight of 236.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66475162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).