(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one

C19H18F3NO3 — CID 7333227

IUPAC(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
SMILESCC(C)(C)c1ccc([C@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C19H18F3NO3/c1-17(2,3)11-4-6-12(7-5-11)18(25)14-10-13(26-19(20,21)22)8-9-15(14)23-16(18)24/h4-10,25H,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyHGSHGGOQUPEAFA-GOSISDBHSA-N
MW365.35 g/mol
LogP4.07
Rot. Bonds2

About (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one

(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one (PubChem CID 7333227) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
PubChem CID7333227
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one
SMILESCC(C)(C)c1ccc([C@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C19H18F3NO3/c1-17(2,3)11-4-6-12(7-5-11)18(25)14-10-13(26-19(20,21)22)8-9-15(14)23-16(18)24/h4-10,25H,1-3H3,(H,23,24)/t18-/m1/s1
InChIKeyHGSHGGOQUPEAFA-GOSISDBHSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(1H-indol-3-yl)-5-(trifluoromethoxy)-1H-indol-2-one
CID 118710075
2'-methyl-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702102
(2'S,3R)-2'-(hydroxymethyl)-5-(trifluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915744
3-butyl-3-ethyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 106702214
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-5-methoxy-1H-indol-2-one
CID 1425954
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 178047850
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenyl-5-(trifluoromethoxy)-1H-indol-2-one
CID 58485431
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
5-[4-(4-tert-butylphenyl)sulfonylbutoxy]-3,3-dimethyl-1H-indol-2-one
CID 13084617
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one?
The IUPAC name of (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one (CID 7333227) is (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one?
The canonical SMILES for (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one is CC(C)(C)c1ccc([C@]2(O)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1.
What is the InChIKey of (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one?
The InChIKey is HGSHGGOQUPEAFA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-17(2,3)11-4-6-12(7-5-11)18(25)14-10-13(26-19(20,21)22)8-9-15(14)23-16(18)24/h4-10,25H,1-3H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one?
(3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one has a molecular weight of 365.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-tert-butylphenyl)-3-hydroxy-5-(trifluoromethoxy)-1H-indol-2-one is sourced from PubChem (CID 7333227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).