4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol

C12H13F3O2 — CID 166611039

IUPAC4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
SMILESOc1ccc(OCC2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-6-9(16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2
InChIKeyLCIRUYPJAIILOG-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.59
Rot. Bonds3

About 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol

4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol (PubChem CID 166611039) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
PubChem CID166611039
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
SMILESOc1ccc(OCC2CCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)10-6-9(16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2
InChIKeyLCIRUYPJAIILOG-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopentylmethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320664
4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]propan-2-ol
CID 84700745
4-[[4-(chloromethyl)-2-(trifluoromethyl)phenoxy]methyl]oxane
CID 63320632
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
1-(cyclopropylmethoxy)-4-nitro-2-(trifluoromethyl)benzene
CID 10563340
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053
2-(cyclohexylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 63520358
N-[[4-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63320061
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282322

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol (CID 166611039) is 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol is Oc1ccc(OCC2CCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol?
The InChIKey is LCIRUYPJAIILOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)10-6-9(16)4-5-11(10)17-7-8-2-1-3-8/h4-6,8,16H,1-3,7H2.
What are the key properties of 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol?
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol has a molecular weight of 246.23 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 166611039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).