5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol

C18H19N3O — CID 136867526

IUPAC5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
SMILESCCc1ccc(/N=N/c2c(O)[nH]c3ccc(CC)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-3-12-5-8-14(9-6-12)20-21-17-15-11-13(4-2)7-10-16(15)19-18(17)22/h5-11,19,22H,3-4H2,1-2H3/b21-20+
InChIKeyOMKDCSSTVWDKNF-QZQOTICOSA-N
MW293.37 g/mol
LogP5.41
Rot. Bonds4

About 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol

5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 136867526) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID136867526
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
SMILESCCc1ccc(/N=N/c2c(O)[nH]c3ccc(CC)cc23)cc1
InChIInChI=1S/C18H19N3O/c1-3-12-5-8-14(9-6-12)20-21-17-15-11-13(4-2)7-10-16(15)19-18(17)22/h5-11,19,22H,3-4H2,1-2H3/b21-20+
InChIKeyOMKDCSSTVWDKNF-QZQOTICOSA-N
XLogP5.41
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.41
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

3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867768
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
4-chloro-3-[(5-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846233
3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]diazenyl]-5-ethyl-1H-indol-2-ol
CID 135624706
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
CID 135981069
CID 135981069
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 136867473
3-[(3-chloro-4-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 135775287
4-[(5-amino-2-hydroxy-1H-indol-3-yl)diazenyl]benzenesulfonamide
CID 135434982

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol (CID 136867526) is 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol is CCc1ccc(/N=N/c2c(O)[nH]c3ccc(CC)cc23)cc1.
What is the InChIKey of 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is OMKDCSSTVWDKNF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-12-5-8-14(9-6-12)20-21-17-15-11-13(4-2)7-10-16(15)19-18(17)22/h5-11,19,22H,3-4H2,1-2H3/b21-20+.
What are the key properties of 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol?
5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 293.37 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 136867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).