2-benzyl-1,4-dioxane

C11H14O2 — CID 12910406

IUPAC2-benzyl-1,4-dioxane
SMILESc1ccc(CC2COCCO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2
InChIKeyASFXYZUOJIMOGD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.64
Rot. Bonds2

About 2-benzyl-1,4-dioxane

2-benzyl-1,4-dioxane (PubChem CID 12910406) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-benzyl-1,4-dioxane.

Molecular Properties

Compound Name2-benzyl-1,4-dioxane
PubChem CID12910406
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-benzyl-1,4-dioxane
SMILESc1ccc(CC2COCCO2)cc1
InChIInChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2
InChIKeyASFXYZUOJIMOGD-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
2-benzyloxepane
CID 14272917
2-benzyl-1,5,3-dioxazepane
CID 142764649
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
2-(1-benzylcyclohexyl)-1,4-dioxane
CID 67727429
(2R,4R)-2-benzyl-4-methyloxolane
CID 101159192
2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 101012741
lithium 2-(phenylmethoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 177432135
1-(1,4-dioxan-2-yl)-2-phenylethanol
CID 57153812
2-benzyl-4,4-dimethyloxolane
CID 102308399

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,4-dioxane?
The IUPAC name of 2-benzyl-1,4-dioxane (CID 12910406) is 2-benzyl-1,4-dioxane.
What is the SMILES notation for 2-benzyl-1,4-dioxane?
The canonical SMILES for 2-benzyl-1,4-dioxane is c1ccc(CC2COCCO2)cc1.
What is the InChIKey of 2-benzyl-1,4-dioxane?
The InChIKey is ASFXYZUOJIMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11H,6-9H2.
What are the key properties of 2-benzyl-1,4-dioxane?
2-benzyl-1,4-dioxane has a molecular weight of 178.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,4-dioxane is sourced from PubChem (CID 12910406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).