2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid

C16H10F3NO3 — CID 67795457

IUPAC2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1c(Oc2ccc3[nH]ccc3c2)cccc1C(F)(F)F
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-2-1-3-13(14(11)15(21)22)23-10-4-5-12-9(8-10)6-7-20-12/h1-8,20H,(H,21,22)
InChIKeyUZEVCZBUCUNQDW-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.68
Rot. Bonds3

About 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid

2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid (PubChem CID 67795457) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid
PubChem CID67795457
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1c(Oc2ccc3[nH]ccc3c2)cccc1C(F)(F)F
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)11-2-1-3-13(14(11)15(21)22)23-10-4-5-12-9(8-10)6-7-20-12/h1-8,20H,(H,21,22)
InChIKeyUZEVCZBUCUNQDW-UHFFFAOYSA-N
XLogP4.68
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid (CID 67795457) is 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid is O=C(O)c1c(Oc2ccc3[nH]ccc3c2)cccc1C(F)(F)F.
What is the InChIKey of 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid?
The InChIKey is UZEVCZBUCUNQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)11-2-1-3-13(14(11)15(21)22)23-10-4-5-12-9(8-10)6-7-20-12/h1-8,20H,(H,21,22).
What are the key properties of 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid?
2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid has a molecular weight of 321.25 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yloxy)-6-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 67795457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).