1-(2-iodo-1-propoxyethyl)-2-methoxybenzene

C12H17IO2 — CID 114772004

IUPAC1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
SMILESCCCOC(CI)c1ccccc1OC
InChIInChI=1S/C12H17IO2/c1-3-8-15-12(9-13)10-6-4-5-7-11(10)14-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyJSKAIHUNPYTZMX-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.60
Rot. Bonds6

About 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene

1-(2-iodo-1-propoxyethyl)-2-methoxybenzene (PubChem CID 114772004) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
PubChem CID114772004
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
SMILESCCCOC(CI)c1ccccc1OC
InChIInChI=1S/C12H17IO2/c1-3-8-15-12(9-13)10-6-4-5-7-11(10)14-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyJSKAIHUNPYTZMX-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.60
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

1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
CID 114773706
1-(2-iodo-1-octoxyethyl)-2-methoxybenzene
CID 114773562
1-chloro-2-(2-iodo-1-propoxyethyl)benzene
CID 114772032
1-(1,2-diiodoethyl)-2-methoxybenzene
CID 174309345
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
1-[1-(4,4-dimethylcyclohexyl)oxy-2-iodoethyl]-2-methoxybenzene
CID 114775179
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
N-[2-(2-methoxyethoxy)-2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 62108685
2-(2-methoxyphenyl)-N-methyl-2-(3-methylbutoxy)ethanamine
CID 62106009
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene?
The IUPAC name of 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene (CID 114772004) is 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene?
The canonical SMILES for 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene is CCCOC(CI)c1ccccc1OC.
What is the InChIKey of 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene?
The InChIKey is JSKAIHUNPYTZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-3-8-15-12(9-13)10-6-4-5-7-11(10)14-2/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene?
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene has a molecular weight of 320.17 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-1-propoxyethyl)-2-methoxybenzene is sourced from PubChem (CID 114772004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).