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

C15H9ClF3NO3 — CID 10269003

IUPAC(3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9ClF3NO3/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)/t14-/m0/s1
InChIKeyGMUVMLWENGMHNR-AWEZNQCLSA-N
MW343.69 g/mol
LogP3.25
Rot. Bonds1

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

(3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10269003) has the molecular formula C15H9ClF3NO3 and a molecular weight of 343.69 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID10269003
Molecular FormulaC15H9ClF3NO3
Molecular Weight343.69 g/mol
Exact Mass343.02
IUPAC Name(3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9ClF3NO3/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)/t14-/m0/s1
InChIKeyGMUVMLWENGMHNR-AWEZNQCLSA-N
XLogP3.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 10269003) is (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(Cl)ccc1O.
What is the InChIKey of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is GMUVMLWENGMHNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H9ClF3NO3/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)/t14-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 343.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10269003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).