1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol

C16H22N2O2 — CID 109411226

IUPAC1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)COc1cc(C)ccc1C
InChIInChI=1S/C16H22N2O2/c1-4-16-17-7-8-18(16)10-14(19)11-20-15-9-12(2)5-6-13(15)3/h5-9,14,19H,4,10-11H2,1-3H3
InChIKeyIJNVQCPQCCTKGH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.50
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol

1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol (PubChem CID 109411226) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
PubChem CID109411226
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)COc1cc(C)ccc1C
InChIInChI=1S/C16H22N2O2/c1-4-16-17-7-8-18(16)10-14(19)11-20-15-9-12(2)5-6-13(15)3/h5-9,14,19H,4,10-11H2,1-3H3
InChIKeyIJNVQCPQCCTKGH-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
CID 109411510
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940353
(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-naphthalen-1-yloxy-3-(2-propylimidazol-1-yl)propan-2-ol
CID 109411288
(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
6-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-7-methylpyrazino[2,3-d]pyridazine-5,8-dione
CID 42942055
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 125135773
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46529527

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol (CID 109411226) is 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol is CCc1nccn1CC(O)COc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The InChIKey is IJNVQCPQCCTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16-17-7-8-18(16)10-14(19)11-20-15-9-12(2)5-6-13(15)3/h5-9,14,19H,4,10-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol?
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 109411226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).