2-(iodomethyl)-5-phenyloxolane

C11H13IO — CID 12644621

IUPAC2-(iodomethyl)-5-phenyloxolane
SMILESICC1CCC(c2ccccc2)O1
InChIInChI=1S/C11H13IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLXZBQHGUWKJHPZ-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.34
Rot. Bonds2

About 2-(iodomethyl)-5-phenyloxolane

2-(iodomethyl)-5-phenyloxolane (PubChem CID 12644621) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is 2-(iodomethyl)-5-phenyloxolane.

Molecular Properties

Compound Name2-(iodomethyl)-5-phenyloxolane
PubChem CID12644621
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name2-(iodomethyl)-5-phenyloxolane
SMILESICC1CCC(c2ccccc2)O1
InChIInChI=1S/C11H13IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyLXZBQHGUWKJHPZ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-5-phenyloxolane?
The IUPAC name of 2-(iodomethyl)-5-phenyloxolane (CID 12644621) is 2-(iodomethyl)-5-phenyloxolane.
What is the SMILES notation for 2-(iodomethyl)-5-phenyloxolane?
The canonical SMILES for 2-(iodomethyl)-5-phenyloxolane is ICC1CCC(c2ccccc2)O1.
What is the InChIKey of 2-(iodomethyl)-5-phenyloxolane?
The InChIKey is LXZBQHGUWKJHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 2-(iodomethyl)-5-phenyloxolane?
2-(iodomethyl)-5-phenyloxolane has a molecular weight of 288.13 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-5-phenyloxolane is sourced from PubChem (CID 12644621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).