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

C15H13IO2 — CID 43218793

IUPAC1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13IO2/c1-11-4-2-3-5-15(11)18-10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyFASCLFORGXWFKR-UHFFFAOYSA-N
MW352.17 g/mol
LogP3.86
Rot. Bonds4

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

1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone (PubChem CID 43218793) has the molecular formula C15H13IO2 and a molecular weight of 352.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
PubChem CID43218793
Molecular FormulaC15H13IO2
Molecular Weight352.17 g/mol
Exact Mass352.00
IUPAC Name1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13IO2/c1-11-4-2-3-5-15(11)18-10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyFASCLFORGXWFKR-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 53.86
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-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
1-(4-iodophenyl)-2-(2-methyl-5-nitrophenoxy)ethanone
CID 60778673
2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
lithium 2-(2-methylphenoxy)acetate
CID 19205696
sodium 2-(2-methylphenoxy)acetate
CID 23664336
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone (CID 43218793) is 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone?
The InChIKey is FASCLFORGXWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO2/c1-11-4-2-3-5-15(11)18-10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone?
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone has a molecular weight of 352.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 43218793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).