methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate

C13H15FO4 — CID 139373983

IUPACmethyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cc(F)ccc2OC)C1
InChIInChI=1S/C13H15FO4/c1-16-11-4-3-9(14)7-12(11)18-10-5-8(6-10)13(15)17-2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyKLRBCNNXCOGLKY-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.16
Rot. Bonds4

About methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate

methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate (PubChem CID 139373983) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
PubChem CID139373983
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Namemethyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(Oc2cc(F)ccc2OC)C1
InChIInChI=1S/C13H15FO4/c1-16-11-4-3-9(14)7-12(11)18-10-5-8(6-10)13(15)17-2/h3-4,7-8,10H,5-6H2,1-2H3
InChIKeyKLRBCNNXCOGLKY-UHFFFAOYSA-N
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate (CID 139373983) is methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate is COC(=O)C1CC(Oc2cc(F)ccc2OC)C1.
What is the InChIKey of methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate?
The InChIKey is KLRBCNNXCOGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-16-11-4-3-9(14)7-12(11)18-10-5-8(6-10)13(15)17-2/h3-4,7-8,10H,5-6H2,1-2H3.
What are the key properties of methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate?
methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate has a molecular weight of 254.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxylate is sourced from PubChem (CID 139373983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).