1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone

C11H13IO2 — CID 171013572

IUPAC1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
SMILESCCOc1ccc(I)c(C(C)=O)c1C
InChIInChI=1S/C11H13IO2/c1-4-14-10-6-5-9(12)11(7(10)2)8(3)13/h5-6H,4H2,1-3H3
InChIKeyBWHURPJMKCULMD-UHFFFAOYSA-N
MW304.13 g/mol
LogP3.20
Rot. Bonds3

About 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone

1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone (PubChem CID 171013572) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
PubChem CID171013572
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
SMILESCCOc1ccc(I)c(C(C)=O)c1C
InChIInChI=1S/C11H13IO2/c1-4-14-10-6-5-9(12)11(7(10)2)8(3)13/h5-6H,4H2,1-3H3
InChIKeyBWHURPJMKCULMD-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 53.20
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-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281
1-(4-ethoxy-3-iodo-2-methylphenyl)ethanone
CID 171012647
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
CID 171033650
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
methyl 6-bromo-3-ethoxy-2-methylbenzoate
CID 86723776
1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-[2-ethoxy-3-iodo-6-(trifluoromethyl)phenyl]ethanone
CID 171020211
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone?
The IUPAC name of 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone (CID 171013572) is 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone?
The canonical SMILES for 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone is CCOc1ccc(I)c(C(C)=O)c1C.
What is the InChIKey of 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone?
The InChIKey is BWHURPJMKCULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c1-4-14-10-6-5-9(12)11(7(10)2)8(3)13/h5-6H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone?
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone has a molecular weight of 304.13 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone is sourced from PubChem (CID 171013572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).