4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid

C19H19N3O3 — CID 135692431

IUPAC4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
SMILESCC(C)Cn1c(O)c(/N=N/c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12(2)11-22-16-6-4-3-5-15(16)17(18(22)23)21-20-14-9-7-13(8-10-14)19(24)25/h3-10,12,23H,11H2,1-2H3,(H,24,25)/b21-20+
InChIKeyHPWASGLSKOBCQU-QZQOTICOSA-N
MW337.38 g/mol
LogP5.12
Rot. Bonds5

About 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid

4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid (PubChem CID 135692431) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
PubChem CID135692431
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
SMILESCC(C)Cn1c(O)c(/N=N/c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C19H19N3O3/c1-12(2)11-22-16-6-4-3-5-15(16)17(18(22)23)21-20-14-9-7-13(8-10-14)19(24)25/h3-10,12,23H,11H2,1-2H3,(H,24,25)/b21-20+
InChIKeyHPWASGLSKOBCQU-QZQOTICOSA-N
XLogP5.12
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N,N'-bis[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4630970
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(2-methylpropyl)indol-2-ol
CID 135823984
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 3292938
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
4-[(6-amino-5,11-dioctylindolo[3,2-b]carbazol-12-yl)diazenyl]benzoic acid
CID 132533365
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
CID 4311773
4-phenyldiazenylbenzoic acid
CID 15276
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
4-chloro-3-[(2-hydroxy-1-propan-2-ylindol-3-yl)diazenyl]benzoic acid
CID 135846205
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 135689109
1-[2-hydroxy-1-(2-methylpropyl)indol-3-yl]imino-3-(2-methoxyethyl)thiourea
CID 2341281

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid?
The IUPAC name of 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid (CID 135692431) is 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid.
What is the SMILES notation for 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid?
The canonical SMILES for 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid is CC(C)Cn1c(O)c(/N=N/c2ccc(C(=O)O)cc2)c2ccccc21.
What is the InChIKey of 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid?
The InChIKey is HPWASGLSKOBCQU-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(2)11-22-16-6-4-3-5-15(16)17(18(22)23)21-20-14-9-7-13(8-10-14)19(24)25/h3-10,12,23H,11H2,1-2H3,(H,24,25)/b21-20+.
What are the key properties of 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid?
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid is sourced from PubChem (CID 135692431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).