1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

C17H24N2O2 — CID 109411239

IUPAC1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)Cn2ccnc2C(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-14-5-7-16(8-6-14)21-12-15(20)11-19-10-9-18-17(19)13(2)3/h5-10,13,15,20H,4,11-12H2,1-3H3
InChIKeyOQKIXPHGBLOMFP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.01
Rot. Bonds7

About 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 109411239) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
PubChem CID109411239
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCCc1ccc(OCC(O)Cn2ccnc2C(C)C)cc1
InChIInChI=1S/C17H24N2O2/c1-4-14-5-7-16(8-6-14)21-12-15(20)11-19-10-9-18-17(19)13(2)3/h5-10,13,15,20H,4,11-12H2,1-3H3
InChIKeyOQKIXPHGBLOMFP-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109411232
3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5,6-dimethylpyrimidin-4-one
CID 86786950
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethoxy]phenyl]acetic acid
CID 63074432
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355
1-(4-chloropyrazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 109411848
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethylphenoxy)propan-2-ol chloride
CID 21237651
1-ethyl-2-[(4-ethylphenoxy)methyl]imidazole
CID 63678506
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (CID 109411239) is 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is CCc1ccc(OCC(O)Cn2ccnc2C(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is OQKIXPHGBLOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14-5-7-16(8-6-14)21-12-15(20)11-19-10-9-18-17(19)13(2)3/h5-10,13,15,20H,4,11-12H2,1-3H3.
What are the key properties of 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).