1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol

C18H26N2O3 — CID 109411510

IUPAC1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)COc1cc(C)ccc1C
InChIInChI=1S/C18H26N2O3/c1-5-22-15(4)18-19-8-9-20(18)11-16(21)12-23-17-10-13(2)6-7-14(17)3/h6-10,15-16,21H,5,11-12H2,1-4H3
InChIKeyHYLOAIBFMHWKJY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.04
Rot. Bonds8

About 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol

1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol (PubChem CID 109411510) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
PubChem CID109411510
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)COc1cc(C)ccc1C
InChIInChI=1S/C18H26N2O3/c1-5-22-15(4)18-19-8-9-20(18)11-16(21)12-23-17-10-13(2)6-7-14(17)3/h6-10,15-16,21H,5,11-12H2,1-4H3
InChIKeyHYLOAIBFMHWKJY-UHFFFAOYSA-N
XLogP3.04
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 109411477
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 109411507
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109411232
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
1-(2,5-dimethylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960897
(3S)-1-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123240
(2R)-1-(2,4-dimethylphenoxy)-3-[2-(furan-2-yl)imidazol-1-yl]propan-2-ol
CID 95871298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol (CID 109411510) is 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol is CCOC(C)c1nccn1CC(O)COc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol?
The InChIKey is HYLOAIBFMHWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-22-15(4)18-19-8-9-20(18)11-16(21)12-23-17-10-13(2)6-7-14(17)3/h6-10,15-16,21H,5,11-12H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol?
1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol has a molecular weight of 318.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol is sourced from PubChem (CID 109411510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).