1-(2-chloro-4-iodophenyl)butan-2-one

C10H10ClIO — CID 147711432

IUPAC1-(2-chloro-4-iodophenyl)butan-2-one
SMILESCCC(=O)Cc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClIO/c1-2-9(13)5-7-3-4-8(12)6-10(7)11/h3-4,6H,2,5H2,1H3
InChIKeyGUUADLGPQGRYAG-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.47
Rot. Bonds3

About 1-(2-chloro-4-iodophenyl)butan-2-one

1-(2-chloro-4-iodophenyl)butan-2-one (PubChem CID 147711432) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)butan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)butan-2-one
PubChem CID147711432
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name1-(2-chloro-4-iodophenyl)butan-2-one
SMILESCCC(=O)Cc1ccc(I)cc1Cl
InChIInChI=1S/C10H10ClIO/c1-2-9(13)5-7-3-4-8(12)6-10(7)11/h3-4,6H,2,5H2,1H3
InChIKeyGUUADLGPQGRYAG-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-ethyl-4-iodobenzene
CID 71044998
1-bromo-3-(2-ethyl-4-iodophenyl)propan-2-one
CID 134616311
methyl 2-bromo-3-(2-chloro-4-iodophenyl)propanoate
CID 107607992
N-[(2-chloro-4-iodophenyl)methyl]propan-2-amine
CID 130669925
2-(2-ethyl-4-iodophenyl)acetic acid
CID 91883775
1-chloro-3-(4-iodo-2-methoxyphenyl)propan-2-one
CID 170836844
1-(2-chloro-4-methylphenyl)-3-ethoxypropan-2-one
CID 106865364
2-chloro-6-(2-oxobutyl)benzoic acid
CID 123235479
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
2-chloro-4-iodo-1-(2,2,2-trifluoroethyl)benzene
CID 71160025
1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)butan-2-one?
The IUPAC name of 1-(2-chloro-4-iodophenyl)butan-2-one (CID 147711432) is 1-(2-chloro-4-iodophenyl)butan-2-one.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)butan-2-one?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)butan-2-one is CCC(=O)Cc1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)butan-2-one?
The InChIKey is GUUADLGPQGRYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-2-9(13)5-7-3-4-8(12)6-10(7)11/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)butan-2-one?
1-(2-chloro-4-iodophenyl)butan-2-one has a molecular weight of 308.55 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)butan-2-one is sourced from PubChem (CID 147711432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).