4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane

C14H19FO2 — CID 59916910

IUPAC4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane
SMILESCCC1CC(C)OC(c2cccc(F)c2C)O1
InChIInChI=1S/C14H19FO2/c1-4-11-8-9(2)16-14(17-11)12-6-5-7-13(15)10(12)3/h5-7,9,11,14H,4,8H2,1-3H3
InChIKeyJXZPNMTZCUSVBY-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.74
Rot. Bonds2

About 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane

4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane (PubChem CID 59916910) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane.

Molecular Properties

Compound Name4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane
PubChem CID59916910
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane
SMILESCCC1CC(C)OC(c2cccc(F)c2C)O1
InChIInChI=1S/C14H19FO2/c1-4-11-8-9(2)16-14(17-11)12-6-5-7-13(15)10(12)3/h5-7,9,11,14H,4,8H2,1-3H3
InChIKeyJXZPNMTZCUSVBY-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane?
The IUPAC name of 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane (CID 59916910) is 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane.
What is the SMILES notation for 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane?
The canonical SMILES for 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane is CCC1CC(C)OC(c2cccc(F)c2C)O1.
What is the InChIKey of 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane?
The InChIKey is JXZPNMTZCUSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-11-8-9(2)16-14(17-11)12-6-5-7-13(15)10(12)3/h5-7,9,11,14H,4,8H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane?
4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane has a molecular weight of 238.30 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluoro-2-methylphenyl)-6-methyl-1,3-dioxane is sourced from PubChem (CID 59916910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).