5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol

C17H17N3O3 — CID 136718435

IUPAC5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCOc1cc2[nH]c(O)c(/N=N/c3cccc(C)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-5-4-6-11(7-10)19-20-16-12-8-14(22-2)15(23-3)9-13(12)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+
InChIKeyXIOPUSLRBOEUMD-FMQUCBEESA-N
MW311.34 g/mol
LogP4.61
Rot. Bonds4

About 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol

5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol (PubChem CID 136718435) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
PubChem CID136718435
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
SMILESCOc1cc2[nH]c(O)c(/N=N/c3cccc(C)c3)c2cc1OC
InChIInChI=1S/C17H17N3O3/c1-10-5-4-6-11(7-10)19-20-16-12-8-14(22-2)15(23-3)9-13(12)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+
InChIKeyXIOPUSLRBOEUMD-FMQUCBEESA-N
XLogP4.61
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 54.61
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

3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
CID 136718442
9-[(3-methoxyphenyl)diazenyl]-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-f]indol-8-ol
CID 136666218
(2,4-dimethoxy-3-methylphenyl)-(3-methylphenyl)diazene
CID 175389531
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
3-[(3-carboxyphenyl)diazenyl]-2-hydroxy-1H-indole-5-carboxylic acid
CID 135924021
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
CID 135981069
CID 135981069
3-[(3-chlorophenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 135730473
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol (CID 136718435) is 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol is COc1cc2[nH]c(O)c(/N=N/c3cccc(C)c3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is XIOPUSLRBOEUMD-FMQUCBEESA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-5-4-6-11(7-10)19-20-16-12-8-14(22-2)15(23-3)9-13(12)18-17(16)21/h4-9,18,21H,1-3H3/b20-19+.
What are the key properties of 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol?
5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 311.34 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 136718435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).