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

C13H16Cl2O2 — CID 66343530

IUPAC3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,10-11,16H,3,7H2,1-2H3
InChIKeyRGOXLRYQLPFWRW-UHFFFAOYSA-N
MW275.17 g/mol
LogP3.92
Rot. Bonds3

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

3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol (PubChem CID 66343530) has the molecular formula C13H16Cl2O2 and a molecular weight of 275.17 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
PubChem CID66343530
Molecular FormulaC13H16Cl2O2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC Name3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C13H16Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,10-11,16H,3,7H2,1-2H3
InChIKeyRGOXLRYQLPFWRW-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-ol?
The IUPAC name of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol (CID 66343530) is 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1Oc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol?
The InChIKey is RGOXLRYQLPFWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O2/c1-3-13(2)10(16)7-11(13)17-12-8(14)5-4-6-9(12)15/h4-6,10-11,16H,3,7H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol?
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol has a molecular weight of 275.17 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 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-ol is sourced from PubChem (CID 66343530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).