2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone

C15H12ClIO2 — CID 63568169

IUPAC2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C15H12ClIO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyJAGJPLDOHZYTOA-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.51
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone

2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone (PubChem CID 63568169) has the molecular formula C15H12ClIO2 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
PubChem CID63568169
Molecular FormulaC15H12ClIO2
Molecular Weight386.62 g/mol
Exact Mass385.96
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(I)cc2)c(Cl)c1
InChIInChI=1S/C15H12ClIO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyJAGJPLDOHZYTOA-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
2-(2-ethoxy-4-methylphenoxy)-1-phenylethanone
CID 167431129
5-bromo-2-[2-(4-iodophenyl)-2-oxoethoxy]benzonitrile
CID 83146350
methyl 3-(2-chloro-4-methylphenoxy)-2,2-dimethylpropanoate
CID 79622455
2-(2-chloro-4-methylphenoxy)-1-cyclopentylethanone
CID 104752067
1-(4-iodophenyl)-2-(2-methyl-5-nitrophenoxy)ethanone
CID 60778673
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone (CID 63568169) is 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone is Cc1ccc(OCC(=O)c2ccc(I)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone?
The InChIKey is JAGJPLDOHZYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone?
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone has a molecular weight of 386.62 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 63568169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).