2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one

C14H17FO2 — CID 66367067

IUPAC2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1cc(C)ccc1F
InChIInChI=1S/C14H17FO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3
InChIKeyOKOWBHCQQXQCCL-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.27
Rot. Bonds3

About 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one

2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one (PubChem CID 66367067) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
PubChem CID66367067
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1cc(C)ccc1F
InChIInChI=1S/C14H17FO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3
InChIKeyOKOWBHCQQXQCCL-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one?
The IUPAC name of 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one (CID 66367067) is 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one is CCC1(C)C(=O)CC1Oc1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one?
The InChIKey is OKOWBHCQQXQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-4-14(3)12(16)8-13(14)17-11-7-9(2)5-6-10(11)15/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one?
2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-fluoro-5-methylphenoxy)-2-methylcyclobutan-1-one is sourced from PubChem (CID 66367067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).