3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

C15H9BrF3NO3 — CID 11058180

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrF3NO3/c16-8-2-4-12(21)10(6-8)14(23)9-3-1-7(15(17,18)19)5-11(9)20-13(14)22/h1-6,21,23H,(H,20,22)
InChIKeyASNGMWNSOSANQL-UHFFFAOYSA-N
MW388.14 g/mol
LogP3.36
Rot. Bonds1

About 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 11058180) has the molecular formula C15H9BrF3NO3 and a molecular weight of 388.14 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID11058180
Molecular FormulaC15H9BrF3NO3
Molecular Weight388.14 g/mol
Exact Mass386.97
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Br)ccc1O
InChIInChI=1S/C15H9BrF3NO3/c16-8-2-4-12(21)10(6-8)14(23)9-3-1-7(15(17,18)19)5-11(9)20-13(14)22/h1-6,21,23H,(H,20,22)
InChIKeyASNGMWNSOSANQL-UHFFFAOYSA-N
XLogP3.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 11058180) is 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is ASNGMWNSOSANQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NO3/c16-8-2-4-12(21)10(6-8)14(23)9-3-1-7(15(17,18)19)5-11(9)20-13(14)22/h1-6,21,23H,(H,20,22).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 388.14 g/mol, XLogP of 3.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 11058180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).