1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene

C12H16ClIO2 — CID 114772636

IUPAC1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
SMILESCCOCCOC(CI)c1ccccc1Cl
InChIInChI=1S/C12H16ClIO2/c1-2-15-7-8-16-12(9-14)10-5-3-4-6-11(10)13/h3-6,12H,2,7-9H2,1H3
InChIKeyZIRLETCRAQLBSE-UHFFFAOYSA-N
MW354.62 g/mol
LogP3.87
Rot. Bonds7

About 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene

1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene (PubChem CID 114772636) has the molecular formula C12H16ClIO2 and a molecular weight of 354.62 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
PubChem CID114772636
Molecular FormulaC12H16ClIO2
Molecular Weight354.62 g/mol
Exact Mass353.99
IUPAC Name1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
SMILESCCOCCOC(CI)c1ccccc1Cl
InChIInChI=1S/C12H16ClIO2/c1-2-15-7-8-16-12(9-14)10-5-3-4-6-11(10)13/h3-6,12H,2,7-9H2,1H3
InChIKeyZIRLETCRAQLBSE-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(2-iodo-1-propoxyethyl)benzene
CID 114772032
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
1-chloro-2-[2-iodo-1-(3-phenylpropoxy)ethyl]benzene
CID 114773863
1-chloro-2-[2-iodo-1-(4,4,4-trifluorobutoxy)ethyl]benzene
CID 114774814
1-(2-chlorophenyl)-3-ethoxypropan-1-ol
CID 115601597
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
1-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-chloro-2-(1-ethoxypropan-2-yl)benzene
CID 91386695
2-(2-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180434

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene?
The IUPAC name of 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene (CID 114772636) is 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene is CCOCCOC(CI)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene?
The InChIKey is ZIRLETCRAQLBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIO2/c1-2-15-7-8-16-12(9-14)10-5-3-4-6-11(10)13/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene?
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene has a molecular weight of 354.62 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene is sourced from PubChem (CID 114772636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).