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

C17H14F3N3O — CID 136867768

IUPAC3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
SMILESCCc1ccc(/N=N/c2c(O)[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-10-3-6-12(7-4-10)22-23-15-13-9-11(17(18,19)20)5-8-14(13)21-16(15)24/h3-9,21,24H,2H2,1H3/b23-22+
InChIKeyWMNIWGKMQRZXPZ-GHVJWSGMSA-N
MW333.31 g/mol
LogP5.87
Rot. Bonds3

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

3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol (PubChem CID 136867768) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
PubChem CID136867768
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
SMILESCCc1ccc(/N=N/c2c(O)[nH]c3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C17H14F3N3O/c1-2-10-3-6-12(7-4-10)22-23-15-13-9-11(17(18,19)20)5-8-14(13)21-16(15)24/h3-9,21,24H,2H2,1H3/b23-22+
InChIKeyWMNIWGKMQRZXPZ-GHVJWSGMSA-N
XLogP5.87
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.31
LogP ≤ 55.87
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

5-ethyl-3-[(4-ethylphenyl)diazenyl]-1H-indol-2-ol
CID 136867526
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
N-[[2-hydroxy-5-(trifluoromethyl)-1H-indol-3-yl]imino]cyclopropanecarboxamide
CID 136867777
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
3-(1,3-benzothiazol-2-yldiazenyl)-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867779
4-chloro-3-[(5-ethyl-2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846233
3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
CID 135981069
CID 135981069
3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
CID 155108242
3-[(4-bromo-3-methylphenyl)diazenyl]-5-methyl-1H-indol-2-ol
CID 136867473

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The IUPAC name of 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol (CID 136867768) is 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The canonical SMILES for 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol is CCc1ccc(/N=N/c2c(O)[nH]c3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
The InChIKey is WMNIWGKMQRZXPZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-2-10-3-6-12(7-4-10)22-23-15-13-9-11(17(18,19)20)5-8-14(13)21-16(15)24/h3-9,21,24H,2H2,1H3/b23-22+.
What are the key properties of 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol?
3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol has a molecular weight of 333.31 g/mol, XLogP of 5.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol is sourced from PubChem (CID 136867768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).