2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one

C13H15IO2 — CID 66368673

IUPAC2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(I)cc1
InChIInChI=1S/C13H15IO2/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyXWIAVNAMOGEOFL-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.43
Rot. Bonds3

About 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one

2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one (PubChem CID 66368673) has the molecular formula C13H15IO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one
PubChem CID66368673
Molecular FormulaC13H15IO2
Molecular Weight330.17 g/mol
Exact Mass330.01
IUPAC Name2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(I)cc1
InChIInChI=1S/C13H15IO2/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,12H,3,8H2,1-2H3
InChIKeyXWIAVNAMOGEOFL-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one (CID 66368673) is 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1ccc(I)cc1.
What is the InChIKey of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one?
The InChIKey is XWIAVNAMOGEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO2/c1-3-13(2)11(15)8-12(13)16-10-6-4-9(14)5-7-10/h4-7,12H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one?
2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one has a molecular weight of 330.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-one is sourced from PubChem (CID 66368673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).