1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol

C14H17FN2O — CID 103849674

IUPAC1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
SMILESCC(C)c1nccn1CC(O)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)14-16-7-8-17(14)9-13(18)11-5-3-4-6-12(11)15/h3-8,10,13,18H,9H2,1-2H3
InChIKeyOZDKIVZHWLWXBY-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol

1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol (PubChem CID 103849674) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
PubChem CID103849674
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
SMILESCC(C)c1nccn1CC(O)c1ccccc1F
InChIInChI=1S/C14H17FN2O/c1-10(2)14-16-7-8-17(14)9-13(18)11-5-3-4-6-12(11)15/h3-8,10,13,18H,9H2,1-2H3
InChIKeyOZDKIVZHWLWXBY-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol (CID 103849674) is 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol is CC(C)c1nccn1CC(O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The InChIKey is OZDKIVZHWLWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)14-16-7-8-17(14)9-13(18)11-5-3-4-6-12(11)15/h3-8,10,13,18H,9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol has a molecular weight of 248.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 103849674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).