1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone

C16H15IO2 — CID 60626805

IUPAC1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
SMILESCc1ccc(C(=O)COc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H15IO2/c1-11-3-8-15(12(2)9-11)16(18)10-19-14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3
InChIKeyJAOYLPOWEXOQDB-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.17
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone

1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone (PubChem CID 60626805) has the molecular formula C16H15IO2 and a molecular weight of 366.20 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
PubChem CID60626805
Molecular FormulaC16H15IO2
Molecular Weight366.20 g/mol
Exact Mass366.01
IUPAC Name1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone
SMILESCc1ccc(C(=O)COc2ccc(I)cc2)c(C)c1
InChIInChI=1S/C16H15IO2/c1-11-3-8-15(12(2)9-11)16(18)10-19-14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3
InChIKeyJAOYLPOWEXOQDB-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.17
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

1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
1-(2,4-dimethylphenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62338468
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
1-(2,4-dimethylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanone
CID 58696140
1-(2,4-dimethylphenyl)-2-(3-propan-2-ylphenoxy)ethanone
CID 43412068
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
1-(2,4-dimethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778164
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
1-(2,5-dimethylphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624137
2-(2,5-difluorophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 63269744

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone (CID 60626805) is 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone is Cc1ccc(C(=O)COc2ccc(I)cc2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone?
The InChIKey is JAOYLPOWEXOQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO2/c1-11-3-8-15(12(2)9-11)16(18)10-19-14-6-4-13(17)5-7-14/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone?
1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone has a molecular weight of 366.20 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-(4-iodophenoxy)ethanone is sourced from PubChem (CID 60626805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).