(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

C16H22N2O2 — CID 125135773

IUPAC(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)Cn1ccnc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-12(2)16-17-8-9-18(16)10-14(19)11-20-15-7-5-4-6-13(15)3/h4-9,12,14,19H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyHLTIETGGOPIIAU-AWEZNQCLSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds6

About (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol

(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 125135773) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
PubChem CID125135773
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)Cn1ccnc1C(C)C
InChIInChI=1S/C16H22N2O2/c1-12(2)16-17-8-9-18(16)10-14(19)11-20-15-7-5-4-6-13(15)3/h4-9,12,14,19H,10-11H2,1-3H3/t14-/m0/s1
InChIKeyHLTIETGGOPIIAU-AWEZNQCLSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-methylphenoxy)propan-2-ol
CID 109411477
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886
1-(2,5-dimethylphenoxy)-3-[2-(1-ethoxyethyl)imidazol-1-yl]propan-2-ol
CID 109411510
(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
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
(2S)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 709194
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol (CID 125135773) is (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is Cc1ccccc1OC[C@@H](O)Cn1ccnc1C(C)C.
What is the InChIKey of (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is HLTIETGGOPIIAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)16-17-8-9-18(16)10-14(19)11-20-15-7-5-4-6-13(15)3/h4-9,12,14,19H,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol?
(2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 125135773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).