2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

C13H15F3O3 — CID 62918574

IUPAC2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(CC1CCCO1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)19-11-4-1-3-9(7-11)12(17)8-10-5-2-6-18-10/h1,3-4,7,10,12,17H,2,5-6,8H2
InChIKeyQUGCQHSGCSSUEG-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.19
Rot. Bonds4

About 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol

2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62918574) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
PubChem CID62918574
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
SMILESOC(CC1CCCO1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)19-11-4-1-3-9(7-11)12(17)8-10-5-2-6-18-10/h1,3-4,7,10,12,17H,2,5-6,8H2
InChIKeyQUGCQHSGCSSUEG-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 115796345
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanal
CID 107105425
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
CID 62606269
2-phenoxy-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 62918071
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
3-methoxy-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 103027521

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol (CID 62918574) is 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is OC(CC1CCCO1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is QUGCQHSGCSSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c14-13(15,16)19-11-4-1-3-9(7-11)12(17)8-10-5-2-6-18-10/h1,3-4,7,10,12,17H,2,5-6,8H2.
What are the key properties of 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol?
2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 276.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62918574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).