5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol

C18H16F3N3O — CID 135775276

IUPAC5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C18H16F3N3O/c1-10(2)11-7-8-14-12(9-11)16(17(25)22-14)24-23-15-6-4-3-5-13(15)18(19,20)21/h3-10,22,25H,1-2H3/b24-23+
InChIKeyGJDBAGWCYTUJJU-WCWDXBQESA-N
MW347.34 g/mol
LogP6.43
Rot. Bonds3

About 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol

5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol (PubChem CID 135775276) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
PubChem CID135775276
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
SMILESCC(C)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C18H16F3N3O/c1-10(2)11-7-8-14-12(9-11)16(17(25)22-14)24-23-15-6-4-3-5-13(15)18(19,20)21/h3-10,22,25H,1-2H3/b24-23+
InChIKeyGJDBAGWCYTUJJU-WCWDXBQESA-N
XLogP6.43
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.34
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]benzamide
CID 135775134
3-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]-5-propan-2-yl-1H-indol-2-ol
CID 135571903
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135847909
1-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]indol-2-ol
CID 3959776
2-(3-fluorophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135557715
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 2424477
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 135745488
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
3-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol
CID 3559649
N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 135767861
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-propan-2-ylbenzenesulfonamide
CID 135647686
3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867768

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol (CID 135775276) is 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol is CC(C)c1ccc2[nH]c(O)c(/N=N/c3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
The InChIKey is GJDBAGWCYTUJJU-WCWDXBQESA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-10(2)11-7-8-14-12(9-11)16(17(25)22-14)24-23-15-6-4-3-5-13(15)18(19,20)21/h3-10,22,25H,1-2H3/b24-23+.
What are the key properties of 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol?
5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol has a molecular weight of 347.34 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[[2-(trifluoromethyl)phenyl]diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 135775276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).