3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one

C13H14Cl2O2 — CID 66366424

IUPAC3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,11H,3,7H2,1-2H3
InChIKeyQGDVYZLYZBJDQL-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.13
Rot. Bonds3

About 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one

3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 66366424) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
PubChem CID66366424
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Name3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,11H,3,7H2,1-2H3
InChIKeyQGDVYZLYZBJDQL-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one (CID 66366424) is 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is QGDVYZLYZBJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one?
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 273.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 66366424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).