2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one

C13H15FO3 — CID 107662253

IUPAC2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cccc(C)c1F
InChIInChI=1S/C13H15FO3/c1-3-16-13-9(15)7-11(13)17-10-6-4-5-8(2)12(10)14/h4-6,11,13H,3,7H2,1-2H3
InChIKeyFOIYWDYEWHRSGZ-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.26
Rot. Bonds4

About 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one

2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one (PubChem CID 107662253) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one
PubChem CID107662253
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one
SMILESCCOC1C(=O)CC1Oc1cccc(C)c1F
InChIInChI=1S/C13H15FO3/c1-3-16-13-9(15)7-11(13)17-10-6-4-5-8(2)12(10)14/h4-6,11,13H,3,7H2,1-2H3
InChIKeyFOIYWDYEWHRSGZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one (CID 107662253) is 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one is CCOC1C(=O)CC1Oc1cccc(C)c1F.
What is the InChIKey of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one?
The InChIKey is FOIYWDYEWHRSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-3-16-13-9(15)7-11(13)17-10-6-4-5-8(2)12(10)14/h4-6,11,13H,3,7H2,1-2H3.
What are the key properties of 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one?
2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one has a molecular weight of 238.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-fluoro-3-methylphenoxy)cyclobutan-1-one is sourced from PubChem (CID 107662253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).