4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane

C16H23IO2 — CID 114775056

IUPAC4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane
SMILESCc1ccccc1C(CI)OC1CC(C)OC(C)C1
InChIInChI=1S/C16H23IO2/c1-11-6-4-5-7-15(11)16(10-17)19-14-8-12(2)18-13(3)9-14/h4-7,12-14,16H,8-10H2,1-3H3
InChIKeyDDQGLXCNVOGBNE-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.44
Rot. Bonds4

About 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane

4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane (PubChem CID 114775056) has the molecular formula C16H23IO2 and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane.

Molecular Properties

Compound Name4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane
PubChem CID114775056
Molecular FormulaC16H23IO2
Molecular Weight374.26 g/mol
Exact Mass374.07
IUPAC Name4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane
SMILESCc1ccccc1C(CI)OC1CC(C)OC(C)C1
InChIInChI=1S/C16H23IO2/c1-11-6-4-5-7-15(11)16(10-17)19-14-8-12(2)18-13(3)9-14/h4-7,12-14,16H,8-10H2,1-3H3
InChIKeyDDQGLXCNVOGBNE-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.44
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

3-[2-iodo-1-(2-methylphenyl)ethoxy]oxetane
CID 102607696
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
1-[1-(cyclohexylmethoxy)-2-iodoethyl]-2-methylbenzene
CID 114773988
N-methyl-2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethanamine
CID 102607797
N-[2-(2-methylphenyl)-2-(oxetan-3-yloxy)ethyl]propan-1-amine
CID 102607807
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-chloro-2-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774288
3-[1-(2-bromophenyl)-2-iodoethoxy]oxolane
CID 114774100
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-2-methoxybenzene
CID 114775179

Frequently Asked Questions

What is the IUPAC name of 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane?
The IUPAC name of 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane (CID 114775056) is 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane.
What is the SMILES notation for 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane?
The canonical SMILES for 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane is Cc1ccccc1C(CI)OC1CC(C)OC(C)C1.
What is the InChIKey of 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane?
The InChIKey is DDQGLXCNVOGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23IO2/c1-11-6-4-5-7-15(11)16(10-17)19-14-8-12(2)18-13(3)9-14/h4-7,12-14,16H,8-10H2,1-3H3.
What are the key properties of 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane?
4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane has a molecular weight of 374.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-iodo-1-(2-methylphenyl)ethoxy]-2,6-dimethyloxane is sourced from PubChem (CID 114775056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).