3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol

C17H17N3O — CID 136867577

IUPAC3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)[nH]c3c(C)cccc23)c(C)c1
InChIInChI=1S/C17H17N3O/c1-10-7-8-14(12(3)9-10)19-20-16-13-6-4-5-11(2)15(13)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+
InChIKeyWYCJXZKHTGDGJI-FMQUCBEESA-N
MW279.34 g/mol
LogP5.21
Rot. Bonds2

About 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol

3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol (PubChem CID 136867577) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
PubChem CID136867577
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)[nH]c3c(C)cccc23)c(C)c1
InChIInChI=1S/C17H17N3O/c1-10-7-8-14(12(3)9-10)19-20-16-13-6-4-5-11(2)15(13)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+
InChIKeyWYCJXZKHTGDGJI-FMQUCBEESA-N
XLogP5.21
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.34
LogP ≤ 55.21
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-[(5-chloro-2-methylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867576
3-[(3,5-dichlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867574
(2-hydroxy-7-methyl-1H-indol-3-yl)iminourea
CID 788841
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
4-chloro-3-[(2-hydroxy-7-methyl-1H-indol-3-yl)diazenyl]benzoic acid
CID 135846209
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-3,5-dimethoxybenzamide
CID 135582404
ethyl N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]carbamate
CID 2692659
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(4-methylanilino)acetamide
CID 135730971
3-(1,3-benzothiazol-2-yldiazenyl)-7-methyl-1H-indol-2-ol
CID 135775140
1-[(2,4-dimethylphenyl)diazenyl]naphthalene-2-thiol
CID 137143767
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
3-[(3-chloro-4-methylphenyl)diazenyl]-7-fluoro-1H-indol-2-ol
CID 136867923

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The IUPAC name of 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol (CID 136867577) is 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The canonical SMILES for 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol is Cc1ccc(/N=N/c2c(O)[nH]c3c(C)cccc23)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
The InChIKey is WYCJXZKHTGDGJI-FMQUCBEESA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-7-8-14(12(3)9-10)19-20-16-13-6-4-5-11(2)15(13)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+.
What are the key properties of 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol?
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol has a molecular weight of 279.34 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol is sourced from PubChem (CID 136867577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).