2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol

C14H19FO2 — CID 107171617

IUPAC2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H19FO2/c1-4-14(3)12(16)8-13(14)17-10-6-5-9(2)11(15)7-10/h5-7,12-13,16H,4,8H2,1-3H3
InChIKeyHYTQBAQTUUYLCS-UHFFFAOYSA-N
MW238.30 g/mol
LogP3.06
Rot. Bonds3

About 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol

2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol (PubChem CID 107171617) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
PubChem CID107171617
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1Oc1ccc(C)c(F)c1
InChIInChI=1S/C14H19FO2/c1-4-14(3)12(16)8-13(14)17-10-6-5-9(2)11(15)7-10/h5-7,12-13,16H,4,8H2,1-3H3
InChIKeyHYTQBAQTUUYLCS-UHFFFAOYSA-N
XLogP3.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol (CID 107171617) is 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1Oc1ccc(C)c(F)c1.
What is the InChIKey of 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol?
The InChIKey is HYTQBAQTUUYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2/c1-4-14(3)12(16)8-13(14)17-10-6-5-9(2)11(15)7-10/h5-7,12-13,16H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol?
2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol has a molecular weight of 238.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-fluoro-4-methylphenoxy)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 107171617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).