2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone

C11H13IO2 — CID 166958709

IUPAC2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COC(C)I
InChIInChI=1S/C11H13IO2/c1-8-5-3-4-6-10(8)11(13)7-14-9(2)12/h3-6,9H,7H2,1-2H3
InChIKeyIIUKOWOSSDJBOH-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.98
Rot. Bonds4

About 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone

2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone (PubChem CID 166958709) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
PubChem CID166958709
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone
SMILESCc1ccccc1C(=O)COC(C)I
InChIInChI=1S/C11H13IO2/c1-8-5-3-4-6-10(8)11(13)7-14-9(2)12/h3-6,9H,7H2,1-2H3
InChIKeyIIUKOWOSSDJBOH-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
2-dimethylphosphoryloxy-1-(2-methylphenyl)ethanone
CID 174630360
1-(2-methylphenyl)-2-phenylmethoxyethanone
CID 62029251
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
2-(cyclopropylmethoxy)-1-(2-methylphenyl)ethanone
CID 43799214
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone (CID 166958709) is 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone is Cc1ccccc1C(=O)COC(C)I.
What is the InChIKey of 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone?
The InChIKey is IIUKOWOSSDJBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-8-5-3-4-6-10(8)11(13)7-14-9(2)12/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone?
2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone has a molecular weight of 304.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethoxy)-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 166958709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).