1-(1-chloropropan-2-yl)-2-iodobenzene

C9H10ClI — CID 71337351

IUPAC1-(1-chloropropan-2-yl)-2-iodobenzene
SMILESCC(CCl)c1ccccc1I
InChIInChI=1S/C9H10ClI/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3
InChIKeyVKOWZINVXYUQTK-UHFFFAOYSA-N
MW280.54 g/mol
LogP3.63
Rot. Bonds2

About 1-(1-chloropropan-2-yl)-2-iodobenzene

1-(1-chloropropan-2-yl)-2-iodobenzene (PubChem CID 71337351) has the molecular formula C9H10ClI and a molecular weight of 280.54 g/mol. Its IUPAC name is 1-(1-chloropropan-2-yl)-2-iodobenzene.

Molecular Properties

Compound Name1-(1-chloropropan-2-yl)-2-iodobenzene
PubChem CID71337351
Molecular FormulaC9H10ClI
Molecular Weight280.54 g/mol
Exact Mass279.95
IUPAC Name1-(1-chloropropan-2-yl)-2-iodobenzene
SMILESCC(CCl)c1ccccc1I
InChIInChI=1S/C9H10ClI/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3
InChIKeyVKOWZINVXYUQTK-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-iodophenyl)ethanethiol
CID 87431963
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
1-iodo-2-[1-(2-propan-2-ylphenyl)ethyl]benzene
CID 70457700
2-(2-iodophenyl)propanenitrile
CID 66855147
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
1-(2-iodophenyl)-3-methylpentan-1-ol
CID 115789355
1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
1-[1-(2-iodophenyl)ethyl]azetidine
CID 126990795
(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
CID 61082573

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropan-2-yl)-2-iodobenzene?
The IUPAC name of 1-(1-chloropropan-2-yl)-2-iodobenzene (CID 71337351) is 1-(1-chloropropan-2-yl)-2-iodobenzene.
What is the SMILES notation for 1-(1-chloropropan-2-yl)-2-iodobenzene?
The canonical SMILES for 1-(1-chloropropan-2-yl)-2-iodobenzene is CC(CCl)c1ccccc1I.
What is the InChIKey of 1-(1-chloropropan-2-yl)-2-iodobenzene?
The InChIKey is VKOWZINVXYUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClI/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-(1-chloropropan-2-yl)-2-iodobenzene?
1-(1-chloropropan-2-yl)-2-iodobenzene has a molecular weight of 280.54 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropan-2-yl)-2-iodobenzene is sourced from PubChem (CID 71337351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).