2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone

C10H10ClIO — CID 171002229

IUPAC2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CCl)cc1I
InChIInChI=1S/C10H10ClIO/c1-6-3-7(2)9(12)4-8(6)10(13)5-11/h3-4H,5H2,1-2H3
InChIKeyGHBBEZJVDNUKSB-UHFFFAOYSA-N
MW308.55 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone

2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone (PubChem CID 171002229) has the molecular formula C10H10ClIO and a molecular weight of 308.55 g/mol. Its IUPAC name is 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone
PubChem CID171002229
Molecular FormulaC10H10ClIO
Molecular Weight308.55 g/mol
Exact Mass307.95
IUPAC Name2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CCl)cc1I
InChIInChI=1S/C10H10ClIO/c1-6-3-7(2)9(12)4-8(6)10(13)5-11/h3-4H,5H2,1-2H3
InChIKeyGHBBEZJVDNUKSB-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 53.33
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'}

Analyze 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroacetyl)-5-iodo-4-methylbenzonitrile
CID 171025775
5-iodo-2,4-dimethylbenzoic acid
CID 23091875
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
1-(5-bromo-2-iodo-3-methylphenyl)-2-chloroethanone
CID 171033536
1-(5-bromo-3-iodo-2-methylphenyl)-2-chloroethanone
CID 171033538
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
CID 171018097
2-chloro-1-[1-(3-iodo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 114257777
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-amino-4-(2-chloroacetyl)-5-methylbenzonitrile
CID 171013585
2-chloro-1-(2,5-dimethyl-4-propoxyphenyl)ethanone
CID 82053559
2-chloro-1-(5-chloro-4-ethoxy-2-methylphenyl)ethanone
CID 82295620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone (CID 171002229) is 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CCl)cc1I.
What is the InChIKey of 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone?
The InChIKey is GHBBEZJVDNUKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIO/c1-6-3-7(2)9(12)4-8(6)10(13)5-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone?
2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone has a molecular weight of 308.55 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-iodo-2,4-dimethylphenyl)ethanone is sourced from PubChem (CID 171002229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).