2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane

C13H18O3 — CID 66475164

IUPAC2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
SMILESCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C13H18O3/c1-11-5-2-3-6-12(11)14-10-7-13-15-8-4-9-16-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyFMMRJZWLGPLXMG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.53
Rot. Bonds4

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

2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane (PubChem CID 66475164) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
PubChem CID66475164
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
SMILESCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C13H18O3/c1-11-5-2-3-6-12(11)14-10-7-13-15-8-4-9-16-13/h2-3,5-6,13H,4,7-10H2,1H3
InChIKeyFMMRJZWLGPLXMG-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
CID 107712859
2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 66474354
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate
CID 146319161
2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane
CID 66475162
2-[2-(4-bromo-3-methylphenoxy)ethyl]-1,3-dioxane
CID 79015613
N-methyl-2-[2-(2-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572787
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
CID 66472542
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 115402495

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane (CID 66475164) is 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane is Cc1ccccc1OCCC1OCCCO1.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane?
The InChIKey is FMMRJZWLGPLXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-11-5-2-3-6-12(11)14-10-7-13-15-8-4-9-16-13/h2-3,5-6,13H,4,7-10H2,1H3.
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane?
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane has a molecular weight of 222.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66475164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).