1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

C13H13F3N2O2 — CID 54162166

IUPAC1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1cccc(C(F)(F)F)c1)Cn1ccnc1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)10-2-1-3-12(6-10)20-8-11(19)7-18-5-4-17-9-18/h1-6,9,11,19H,7-8H2
InChIKeyOPEKAQOLVDBVPB-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.34
Rot. Bonds5

About 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 54162166) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID54162166
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1cccc(C(F)(F)F)c1)Cn1ccnc1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)10-2-1-3-12(6-10)20-8-11(19)7-18-5-4-17-9-18/h1-6,9,11,19H,7-8H2
InChIKeyOPEKAQOLVDBVPB-UHFFFAOYSA-N
XLogP2.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
1-(2,6-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 59563443
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
1-(3,5-dimethylmorpholin-4-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 111448372
1-(4-ethoxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906834
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol (CID 54162166) is 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is OC(COc1cccc(C(F)(F)F)c1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is OPEKAQOLVDBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)10-2-1-3-12(6-10)20-8-11(19)7-18-5-4-17-9-18/h1-6,9,11,19H,7-8H2.
What are the key properties of 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol?
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 286.25 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 54162166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).