3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one

C16H12F3NO2 — CID 44603962

IUPAC3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
SMILESCN1C(=O)C(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H12F3NO2/c1-20-13-5-3-2-4-12(13)15(22,14(20)21)10-6-8-11(9-7-10)16(17,18)19/h2-9,22H,1H3
InChIKeyVBBNSSOMIRGOOV-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.92
Rot. Bonds1

About 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one

3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one (PubChem CID 44603962) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
PubChem CID44603962
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC Name3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
SMILESCN1C(=O)C(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C16H12F3NO2/c1-20-13-5-3-2-4-12(13)15(22,14(20)21)10-6-8-11(9-7-10)16(17,18)19/h2-9,22H,1H3
InChIKeyVBBNSSOMIRGOOV-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
CID 2784777
3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
CID 102166868
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
(4S)-1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
CID 135941040
3-hydroxy-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-1-methylindol-2-one
CID 102171347
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one (CID 44603962) is 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one is CN1C(=O)C(O)(c2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one?
The InChIKey is VBBNSSOMIRGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c1-20-13-5-3-2-4-12(13)15(22,14(20)21)10-6-8-11(9-7-10)16(17,18)19/h2-9,22H,1H3.
What are the key properties of 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one?
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one has a molecular weight of 307.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one is sourced from PubChem (CID 44603962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).