3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane

C12H15IO2 — CID 102607696

IUPAC3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
SMILESCc1ccccc1C(CI)OC1COC1
InChIInChI=1S/C12H15IO2/c1-9-4-2-3-5-11(9)12(6-13)15-10-7-14-8-10/h2-5,10,12H,6-8H2,1H3
InChIKeySTBBAFDLSXXASE-UHFFFAOYSA-N
MW318.15 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane

3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane (PubChem CID 102607696) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane.

Molecular Properties

Compound Name3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
PubChem CID102607696
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
SMILESCc1ccccc1C(CI)OC1COC1
InChIInChI=1S/C12H15IO2/c1-9-4-2-3-5-11(9)12(6-13)15-10-7-14-8-10/h2-5,10,12H,6-8H2,1H3
InChIKeySTBBAFDLSXXASE-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102607797
4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane
CID 114775056
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-2-methylbenzene
CID 114773988
1-[2-iodo-1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-2-methylbenzene
CID 114772958
2-[2-iodo-1-(2-methylphenyl)ethoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 114774646
2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
CID 55019101
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]propan-2-amine
CID 102607723
N-[2-(2-methoxyphenyl)-2-(oxetan-3-yloxy)ethyl]-2-methylpropan-2-amine
CID 102607756
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
1-(2-methylphenyl)-1-(oxolan-3-yloxy)propan-2-amine
CID 63559231

Frequently Asked Questions

What is the IUPAC name of 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane?
The IUPAC name of 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane (CID 102607696) is 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane.
What is the SMILES notation for 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane?
The canonical SMILES for 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane is Cc1ccccc1C(CI)OC1COC1.
What is the InChIKey of 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane?
The InChIKey is STBBAFDLSXXASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2/c1-9-4-2-3-5-11(9)12(6-13)15-10-7-14-8-10/h2-5,10,12H,6-8H2,1H3.
What are the key properties of 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane?
3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane has a molecular weight of 318.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane is sourced from PubChem (CID 102607696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).