3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol

C12H15FO3 — CID 104673738

IUPAC3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(F)c(C)c1
InChIInChI=1S/C12H15FO3/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12,14H,6H2,1-2H3
InChIKeyLEVXKWRMVYIJFY-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.66
Rot. Bonds3

About 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol

3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol (PubChem CID 104673738) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol
PubChem CID104673738
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol
SMILESCOC1C(O)CC1Oc1ccc(F)c(C)c1
InChIInChI=1S/C12H15FO3/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12,14H,6H2,1-2H3
InChIKeyLEVXKWRMVYIJFY-UHFFFAOYSA-N
XLogP1.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol?
The IUPAC name of 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol (CID 104673738) is 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol.
What is the SMILES notation for 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol?
The canonical SMILES for 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol is COC1C(O)CC1Oc1ccc(F)c(C)c1.
What is the InChIKey of 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol?
The InChIKey is LEVXKWRMVYIJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12,14H,6H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol?
3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol has a molecular weight of 226.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenoxy)-2-methoxycyclobutan-1-ol is sourced from PubChem (CID 104673738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).