2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one

C14H18O4S — CID 66367245

IUPAC2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H18O4S/c1-4-14(2)12(15)9-13(14)18-10-5-7-11(8-6-10)19(3,16)17/h5-8,13H,4,9H2,1-3H3
InChIKeyLOUJYDNZHPUFEB-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds4

About 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one

2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one (PubChem CID 66367245) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one
PubChem CID66367245
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Name2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one
SMILESCCC1(C)C(=O)CC1Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H18O4S/c1-4-14(2)12(15)9-13(14)18-10-5-7-11(8-6-10)19(3,16)17/h5-8,13H,4,9H2,1-3H3
InChIKeyLOUJYDNZHPUFEB-UHFFFAOYSA-N
XLogP2.23
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one?
The IUPAC name of 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one (CID 66367245) is 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one is CCC1(C)C(=O)CC1Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one?
The InChIKey is LOUJYDNZHPUFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-4-14(2)12(15)9-13(14)18-10-5-7-11(8-6-10)19(3,16)17/h5-8,13H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one?
2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one has a molecular weight of 282.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-methylsulfonylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 66367245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).