3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one

C15H9ClF3NO3 — CID 10132223

IUPAC3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9ClF3NO3/c16-7-4-5-11(21)10(6-7)14(23)8-2-1-3-9(15(17,18)19)12(8)20-13(14)22/h1-6,21,23H,(H,20,22)
InChIKeyUHSWKGYUWPRVMV-UHFFFAOYSA-N
MW343.69 g/mol
LogP3.25
Rot. Bonds1

About 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one

3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10132223) has the molecular formula C15H9ClF3NO3 and a molecular weight of 343.69 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
PubChem CID10132223
Molecular FormulaC15H9ClF3NO3
Molecular Weight343.69 g/mol
Exact Mass343.02
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2c(C(F)(F)F)cccc2C1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C15H9ClF3NO3/c16-7-4-5-11(21)10(6-7)14(23)8-2-1-3-9(15(17,18)19)12(8)20-13(14)22/h1-6,21,23H,(H,20,22)
InChIKeyUHSWKGYUWPRVMV-UHFFFAOYSA-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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Related Compounds

CID 3427196
CID 3427196
CID 9899898
CID 9899898
CID 9906124
CID 9906124
CID 9927408
CID 9927408
CID 9946063
CID 9946063
CID 9968692
CID 9968692
CID 10132283
CID 10132283
CID 10136357
CID 10136357
CID 10154520
CID 10154520
CID 10177586
CID 10177586
CID 10269003
CID 10269003
CID 10915301
CID 10915301

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one (CID 10132223) is 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2c(C(F)(F)F)cccc2C1(O)c1cc(Cl)ccc1O.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is UHSWKGYUWPRVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO3/c16-7-4-5-11(21)10(6-7)14(23)8-2-1-3-9(15(17,18)19)12(8)20-13(14)22/h1-6,21,23H,(H,20,22).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one?
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(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 3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-7-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10132223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).