1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone

C16H14ClIO — CID 114029871

IUPAC1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Cl)ccc2I)c1
InChIInChI=1S/C16H14ClIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyWWVXBPHCMDOAEG-UHFFFAOYSA-N
MW384.64 g/mol
LogP4.99
Rot. Bonds3

About 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone

1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 114029871) has the molecular formula C16H14ClIO and a molecular weight of 384.64 g/mol. Its IUPAC name is 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID114029871
Molecular FormulaC16H14ClIO
Molecular Weight384.64 g/mol
Exact Mass383.98
IUPAC Name1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Cl)ccc2I)c1
InChIInChI=1S/C16H14ClIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9H,8H2,1-2H3
InChIKeyWWVXBPHCMDOAEG-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.99
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

1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
2-(2,5-dimethylphenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029336
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
1-(5-chloro-2-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 114029892
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
2-(2,5-dimethylphenyl)-1-(2-methoxyphenyl)ethanone
CID 61481684

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone (CID 114029871) is 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(Cl)ccc2I)c1.
What is the InChIKey of 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is WWVXBPHCMDOAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClIO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone?
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 384.64 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 114029871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).