2-(2-iodophenyl)-2-methyl-1,3-dioxolane

C10H11IO2 — CID 5028728

IUPAC2-(2-iodophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccccc2I)OCCO1
InChIInChI=1S/C10H11IO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyKBYBYYXSROBDSL-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.51
Rot. Bonds1

About 2-(2-iodophenyl)-2-methyl-1,3-dioxolane

2-(2-iodophenyl)-2-methyl-1,3-dioxolane (PubChem CID 5028728) has the molecular formula C10H11IO2 and a molecular weight of 290.10 g/mol. Its IUPAC name is 2-(2-iodophenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-iodophenyl)-2-methyl-1,3-dioxolane
PubChem CID5028728
Molecular FormulaC10H11IO2
Molecular Weight290.10 g/mol
Exact Mass289.98
IUPAC Name2-(2-iodophenyl)-2-methyl-1,3-dioxolane
SMILESCC1(c2ccccc2I)OCCO1
InChIInChI=1S/C10H11IO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
InChIKeyKBYBYYXSROBDSL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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-(2-iodophenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(2-iodophenyl)-2-methyl-1,3-dioxolane (CID 5028728) is 2-(2-iodophenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(2-iodophenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(2-iodophenyl)-2-methyl-1,3-dioxolane is CC1(c2ccccc2I)OCCO1.
What is the InChIKey of 2-(2-iodophenyl)-2-methyl-1,3-dioxolane?
The InChIKey is KBYBYYXSROBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-iodophenyl)-2-methyl-1,3-dioxolane?
2-(2-iodophenyl)-2-methyl-1,3-dioxolane has a molecular weight of 290.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 5028728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).