2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol

C13H14ClFN2O — CID 63975018

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-2-17-7-6-16-13(17)12(18)8-9-10(14)4-3-5-11(9)15/h3-7,12,18H,2,8H2,1H3
InChIKeyFIYMGTLUWUHEBJ-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.97
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol (PubChem CID 63975018) has the molecular formula C13H14ClFN2O and a molecular weight of 268.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
PubChem CID63975018
Molecular FormulaC13H14ClFN2O
Molecular Weight268.72 g/mol
Exact Mass268.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1C(O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H14ClFN2O/c1-2-17-7-6-16-13(17)12(18)8-9-10(14)4-3-5-11(9)15/h3-7,12,18H,2,8H2,1H3
InChIKeyFIYMGTLUWUHEBJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79751317
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
[1-(2-chloro-6-fluorophenyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105216048
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol (CID 63975018) is 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1C(O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is FIYMGTLUWUHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O/c1-2-17-7-6-16-13(17)12(18)8-9-10(14)4-3-5-11(9)15/h3-7,12,18H,2,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 268.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 63975018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).