1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

C17H24N2O3 — CID 109411477

IUPAC1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)COc1ccccc1C
InChIInChI=1S/C17H24N2O3/c1-4-21-14(3)17-18-9-10-19(17)11-15(20)12-22-16-8-6-5-7-13(16)2/h5-10,14-15,20H,4,11-12H2,1-3H3
InChIKeyNPYDMXZHFQOUJE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.73
Rot. Bonds8

About 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol

1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 109411477) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
PubChem CID109411477
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
SMILESCCOC(C)c1nccn1CC(O)COc1ccccc1C
InChIInChI=1S/C17H24N2O3/c1-4-21-14(3)17-18-9-10-19(17)11-15(20)12-22-16-8-6-5-7-13(16)2/h5-10,14-15,20H,4,11-12H2,1-3H3
InChIKeyNPYDMXZHFQOUJE-UHFFFAOYSA-N
XLogP2.73
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
CID 109411510
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109411232
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 109411507
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-[(1R)-1-ethoxyethyl]imidazol-1-yl]propan-2-ol
CID 97327110
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
(2S)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 709194
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol (CID 109411477) is 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is CCOC(C)c1nccn1CC(O)COc1ccccc1C.
What is the InChIKey of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NPYDMXZHFQOUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-21-14(3)17-18-9-10-19(17)11-15(20)12-22-16-8-6-5-7-13(16)2/h5-10,14-15,20H,4,11-12H2,1-3H3.
What are the key properties of 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol?
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 304.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 109411477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).