2-(3-iodophenyl)-1,3-dioxane

C10H11IO2 — CID 142902920

IUPAC2-(3-iodophenyl)-1,3-dioxane
SMILESIc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H11IO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyVIAGNSLFRJHFSU-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.73
Rot. Bonds1

About 2-(3-iodophenyl)-1,3-dioxane

2-(3-iodophenyl)-1,3-dioxane (PubChem CID 142902920) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(3-iodophenyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(3-iodophenyl)-1,3-dioxane
PubChem CID142902920
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-(3-iodophenyl)-1,3-dioxane
SMILESIc1cccc(C2OCCCO2)c1
InChIInChI=1S/C10H11IO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKeyVIAGNSLFRJHFSU-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-1,3-dioxane?
The IUPAC name of 2-(3-iodophenyl)-1,3-dioxane (CID 142902920) is 2-(3-iodophenyl)-1,3-dioxane.
What is the SMILES notation for 2-(3-iodophenyl)-1,3-dioxane?
The canonical SMILES for 2-(3-iodophenyl)-1,3-dioxane is Ic1cccc(C2OCCCO2)c1.
What is the InChIKey of 2-(3-iodophenyl)-1,3-dioxane?
The InChIKey is VIAGNSLFRJHFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 2-(3-iodophenyl)-1,3-dioxane?
2-(3-iodophenyl)-1,3-dioxane has a molecular weight of 290.10 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-1,3-dioxane is sourced from PubChem (CID 142902920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).