3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

C15H8Cl2F3NO3 — CID 10970879

IUPAC3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C15H8Cl2F3NO3/c16-9-4-8(12(22)5-10(9)17)14(24)7-2-1-6(15(18,19)20)3-11(7)21-13(14)23/h1-5,22,24H,(H,21,23)
InChIKeyDSAHCPKBHDXHEI-UHFFFAOYSA-N
MW378.13 g/mol
LogP3.91
Rot. Bonds1

About 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one

3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 10970879) has the molecular formula C15H8Cl2F3NO3 and a molecular weight of 378.13 g/mol. Its IUPAC name is 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID10970879
Molecular FormulaC15H8Cl2F3NO3
Molecular Weight378.13 g/mol
Exact Mass376.98
IUPAC Name3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)c(Cl)cc1O
InChIInChI=1S/C15H8Cl2F3NO3/c16-9-4-8(12(22)5-10(9)17)14(24)7-2-1-6(15(18,19)20)3-11(7)21-13(14)23/h1-5,22,24H,(H,21,23)
InChIKeyDSAHCPKBHDXHEI-UHFFFAOYSA-N
XLogP3.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.13
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxy-3-iodophenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11145115
(3S)-3-(5-chloro-2-hydroxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 122490665
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
CID 10294489
(3R)-3-(5-chloro-2-hydroxyphenyl)-3-ethyl-6-(trifluoromethyl)-1H-indol-2-one
CID 178002990
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457
3-fluoro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 164519580
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
CID 3794855
3-(5-chloro-2-methylsulfanylphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one
CID 18412763
3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974859
methyl 3-chloro-2-[3-fluoro-2-oxo-6-(trifluoromethyl)-1H-indol-3-yl]benzoate
CID 175883383
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
CID 125421520

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one (CID 10970879) is 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is O=C1Nc2cc(C(F)(F)F)ccc2C1(O)c1cc(Cl)c(Cl)cc1O.
What is the InChIKey of 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is DSAHCPKBHDXHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F3NO3/c16-9-4-8(12(22)5-10(9)17)14(24)7-2-1-6(15(18,19)20)3-11(7)21-13(14)23/h1-5,22,24H,(H,21,23).
What are the key properties of 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one?
3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 378.13 g/mol, XLogP of 3.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 10970879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).