1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol

C18H26N2O2 — CID 109411232

IUPAC1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)Cn1ccnc1C(C)C
InChIInChI=1S/C18H26N2O2/c1-13(2)16-7-5-6-8-17(16)22-12-15(21)11-20-10-9-19-18(20)14(3)4/h5-10,13-15,21H,11-12H2,1-4H3
InChIKeyYPOCJOODKUQNMV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.57
Rot. Bonds7

About 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol

1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 109411232) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID109411232
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OCC(O)Cn1ccnc1C(C)C
InChIInChI=1S/C18H26N2O2/c1-13(2)16-7-5-6-8-17(16)22-12-15(21)11-20-10-9-19-18(20)14(3)4/h5-10,13-15,21H,11-12H2,1-4H3
InChIKeyYPOCJOODKUQNMV-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.57
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
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
1-[2-(1-ethoxyethyl)imidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 109411477
1-(4-ethylphenoxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 109411239
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 103849674
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
1-(2-propan-2-ylphenoxy)-3-(5-pyridin-4-ylpyrazol-1-yl)propan-2-ol
CID 109411907
7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
CID 52541560
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 7125674
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
1-(3-nitro-1,2,4-triazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 109412235

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 109411232) is 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OCC(O)Cn1ccnc1C(C)C.
What is the InChIKey of 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is YPOCJOODKUQNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)16-7-5-6-8-17(16)22-12-15(21)11-20-10-9-19-18(20)14(3)4/h5-10,13-15,21H,11-12H2,1-4H3.
What are the key properties of 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol?
1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylimidazol-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 109411232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).