1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone

C12H15IO2 — CID 171033650

IUPAC1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
SMILESCCOc1cc(CC)cc(I)c1C(C)=O
InChIInChI=1S/C12H15IO2/c1-4-9-6-10(13)12(8(3)14)11(7-9)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyWTZQWVGRJBACHJ-UHFFFAOYSA-N
MW318.15 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone

1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone (PubChem CID 171033650) has the molecular formula C12H15IO2 and a molecular weight of 318.15 g/mol. Its IUPAC name is 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
PubChem CID171033650
Molecular FormulaC12H15IO2
Molecular Weight318.15 g/mol
Exact Mass318.01
IUPAC Name1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
SMILESCCOc1cc(CC)cc(I)c1C(C)=O
InChIInChI=1S/C12H15IO2/c1-4-9-6-10(13)12(8(3)14)11(7-9)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyWTZQWVGRJBACHJ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 53.45
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-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
1-(3-ethoxy-6-iodo-2-methylphenyl)ethanone
CID 171013572
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
1-(4-ethoxy-5-fluoro-2-iodophenyl)ethanone
CID 131310764
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1,2,3-triethoxy-5-ethylbenzene
CID 91457664
1-bromo-3-(4-ethoxy-3-iodophenyl)propan-2-one
CID 134616783
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
1-(3-ethoxy-2-iodo-6-methylphenyl)ethanone
CID 171013372
1-[6-ethoxy-3-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020281

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone?
The IUPAC name of 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone (CID 171033650) is 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone?
The canonical SMILES for 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone is CCOc1cc(CC)cc(I)c1C(C)=O.
What is the InChIKey of 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone?
The InChIKey is WTZQWVGRJBACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO2/c1-4-9-6-10(13)12(8(3)14)11(7-9)15-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone?
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone has a molecular weight of 318.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone is sourced from PubChem (CID 171033650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).