2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol

C12H12F3NO2 — CID 84637571

IUPAC2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESCOc1ccc2[nH]c(C(F)(F)F)c(CCO)c2c1
InChIInChI=1S/C12H12F3NO2/c1-18-7-2-3-10-9(6-7)8(4-5-17)11(16-10)12(13,14)15/h2-3,6,16-17H,4-5H2,1H3
InChIKeyJSNQGSSBCFJMMH-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.73
Rot. Bonds3

About 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol

2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol (PubChem CID 84637571) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
PubChem CID84637571
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
SMILESCOc1ccc2[nH]c(C(F)(F)F)c(CCO)c2c1
InChIInChI=1S/C12H12F3NO2/c1-18-7-2-3-10-9(6-7)8(4-5-17)11(16-10)12(13,14)15/h2-3,6,16-17H,4-5H2,1H3
InChIKeyJSNQGSSBCFJMMH-UHFFFAOYSA-N
XLogP2.73
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]propanenitrile
CID 84640649
2-[5-chloro-2-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 84639252
3-[5-methyl-2-(trifluoromethyl)-1H-indol-3-yl]propan-1-ol
CID 84636463
3-(2-hydroxyethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
CID 14020208
[6-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]methanamine
CID 83678476
5-methoxy-3-[[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)-1H-indole
CID 178091609
6-methoxy-4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbonyl chloride
CID 54525795
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
2-[2,5-bis(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 125457020

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol (CID 84637571) is 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol is COc1ccc2[nH]c(C(F)(F)F)c(CCO)c2c1.
What is the InChIKey of 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
The InChIKey is JSNQGSSBCFJMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-18-7-2-3-10-9(6-7)8(4-5-17)11(16-10)12(13,14)15/h2-3,6,16-17H,4-5H2,1H3.
What are the key properties of 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol?
2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol has a molecular weight of 259.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 84637571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).