3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol

C18H19N3O — CID 3565046

IUPAC3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
SMILESCC(C)(C)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)12-8-10-13(11-9-12)20-21-16-14-6-4-5-7-15(14)19-17(16)22/h4-11,19,22H,1-3H3/b21-20+
InChIKeyXZLLUWAADCWPQX-QZQOTICOSA-N
MW293.37 g/mol
LogP5.59
Rot. Bonds2

About 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol

3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 3565046) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID3565046
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
SMILESCC(C)(C)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)12-8-10-13(11-9-12)20-21-16-14-6-4-5-7-15(14)19-17(16)22/h4-11,19,22H,1-3H3/b21-20+
InChIKeyXZLLUWAADCWPQX-QZQOTICOSA-N
XLogP5.59
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.59
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol (CID 3565046) is 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol is CC(C)(C)c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is XZLLUWAADCWPQX-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)12-8-10-13(11-9-12)20-21-16-14-6-4-5-7-15(14)19-17(16)22/h4-11,19,22H,1-3H3/b21-20+.
What are the key properties of 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol?
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 293.37 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3565046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).