2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

C16H15IO3 — CID 62032361

IUPAC2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1ccccc1I
InChIInChI=1S/C16H15IO3/c1-11-7-8-12(16(9-11)19-2)14(18)10-20-15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3
InChIKeyFORMCVAYLXSUJO-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone

2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (PubChem CID 62032361) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
PubChem CID62032361
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
SMILESCOc1cc(C)ccc1C(=O)COc1ccccc1I
InChIInChI=1S/C16H15IO3/c1-11-7-8-12(16(9-11)19-2)14(18)10-20-15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3
InChIKeyFORMCVAYLXSUJO-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885320
2-(5-bromo-2-methylphenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 107285015
2-(2,5-dichlorophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone
CID 63565665
1-(2,4-dimethylphenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43413909
2-[2-(2-methoxyethoxy)ethoxy]-1-(2-methoxy-4-methylphenyl)ethanone
CID 104563929
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
1-(2-methoxy-4-methylphenyl)-2-prop-2-enoxyethanone
CID 62029110
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone (CID 62032361) is 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is COc1cc(C)ccc1C(=O)COc1ccccc1I.
What is the InChIKey of 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
The InChIKey is FORMCVAYLXSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-11-7-8-12(16(9-11)19-2)14(18)10-20-15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone?
2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone has a molecular weight of 382.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-1-(2-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 62032361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).