1-chloro-2-(2-iodo-1-propoxyethyl)benzene

C11H14ClIO — CID 114772032

IUPAC1-chloro-2-(2-iodo-1-propoxyethyl)benzene
SMILESCCCOC(CI)c1ccccc1Cl
InChIInChI=1S/C11H14ClIO/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3
InChIKeyJDNSDEXMABTACT-UHFFFAOYSA-N
MW324.59 g/mol
LogP4.24
Rot. Bonds5

About 1-chloro-2-(2-iodo-1-propoxyethyl)benzene

1-chloro-2-(2-iodo-1-propoxyethyl)benzene (PubChem CID 114772032) has the molecular formula C11H14ClIO and a molecular weight of 324.59 g/mol. Its IUPAC name is 1-chloro-2-(2-iodo-1-propoxyethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-iodo-1-propoxyethyl)benzene
PubChem CID114772032
Molecular FormulaC11H14ClIO
Molecular Weight324.59 g/mol
Exact Mass323.98
IUPAC Name1-chloro-2-(2-iodo-1-propoxyethyl)benzene
SMILESCCCOC(CI)c1ccccc1Cl
InChIInChI=1S/C11H14ClIO/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3
InChIKeyJDNSDEXMABTACT-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.59
LogP ≤ 54.24
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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Related Compounds

1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
1-(2-iodo-1-propoxyethyl)-2-methoxybenzene
CID 114772004
1-chloro-2-[2-iodo-1-(3-phenylpropoxy)ethyl]benzene
CID 114773863
1-chloro-2-[2-iodo-1-[3-(2-methoxyethoxy)propoxy]ethyl]benzene
CID 103405085
1-chloro-2-[2-iodo-1-(4,4,4-trifluorobutoxy)ethyl]benzene
CID 114774814
2-(2-chlorophenyl)-2-hexoxyethanamine
CID 55022815
1-(2-iodo-1-pentoxyethyl)-2-methoxybenzene
CID 114773706
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
N-[2-(2-butoxyethoxy)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 62110711
N-[2-(2-chlorophenyl)-2-(4-methylpentoxy)ethyl]propan-1-amine
CID 63475898
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
CID 112589307

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-iodo-1-propoxyethyl)benzene?
The IUPAC name of 1-chloro-2-(2-iodo-1-propoxyethyl)benzene (CID 114772032) is 1-chloro-2-(2-iodo-1-propoxyethyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-iodo-1-propoxyethyl)benzene?
The canonical SMILES for 1-chloro-2-(2-iodo-1-propoxyethyl)benzene is CCCOC(CI)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(2-iodo-1-propoxyethyl)benzene?
The InChIKey is JDNSDEXMABTACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIO/c1-2-7-14-11(8-13)9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-chloro-2-(2-iodo-1-propoxyethyl)benzene?
1-chloro-2-(2-iodo-1-propoxyethyl)benzene has a molecular weight of 324.59 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-iodo-1-propoxyethyl)benzene is sourced from PubChem (CID 114772032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).