2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane

C12H15IO3 — CID 66472751

IUPAC2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane
SMILESIc1ccc(OCCC2OCCCO2)cc1
InChIInChI=1S/C12H15IO3/c13-10-2-4-11(5-3-10)14-9-6-12-15-7-1-8-16-12/h2-5,12H,1,6-9H2
InChIKeyZICNKKHLYCJNMK-UHFFFAOYSA-N
MW334.15 g/mol
LogP2.82
Rot. Bonds4

About 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane

2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane (PubChem CID 66472751) has the molecular formula C12H15IO3 and a molecular weight of 334.15 g/mol. Its IUPAC name is 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane
PubChem CID66472751
Molecular FormulaC12H15IO3
Molecular Weight334.15 g/mol
Exact Mass334.01
IUPAC Name2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane
SMILESIc1ccc(OCCC2OCCCO2)cc1
InChIInChI=1S/C12H15IO3/c13-10-2-4-11(5-3-10)14-9-6-12-15-7-1-8-16-12/h2-5,12H,1,6-9H2
InChIKeyZICNKKHLYCJNMK-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-phenoxyethoxy)ethyl]-1,3-dioxane
CID 66472542
2-[2-(3,5-dimethylphenoxy)ethyl]-1,3-dioxane
CID 66475162
2-[2-(4-bromo-3-methylphenoxy)ethyl]-1,3-dioxane
CID 79015613
3-[2-(4-iodophenoxy)ethyl]azetidine
CID 107391676
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
6-[2-(1,3-dioxan-2-yl)ethoxy]-2-methylquinoline
CID 141440483
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285
2-[2-(2,6-dimethoxyphenoxy)ethyl]-1,3-dioxane
CID 66473547
2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
CID 107712859
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane (CID 66472751) is 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane is Ic1ccc(OCCC2OCCCO2)cc1.
What is the InChIKey of 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane?
The InChIKey is ZICNKKHLYCJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO3/c13-10-2-4-11(5-3-10)14-9-6-12-15-7-1-8-16-12/h2-5,12H,1,6-9H2.
What are the key properties of 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane?
2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane has a molecular weight of 334.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-iodophenoxy)ethyl]-1,3-dioxane is sourced from PubChem (CID 66472751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).