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

C18H19N3O3 — CID 136718442

IUPAC3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
SMILESCOc1cc2[nH]c(O)c(/N=N/c3cc(C)cc(C)c3)c2cc1OC
InChIInChI=1S/C18H19N3O3/c1-10-5-11(2)7-12(6-10)20-21-17-13-8-15(23-3)16(24-4)9-14(13)19-18(17)22/h5-9,19,22H,1-4H3/b21-20+
InChIKeyAYALMCZNUQJXAP-QZQOTICOSA-N
MW325.37 g/mol
LogP4.92
Rot. Bonds4

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

3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol (PubChem CID 136718442) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
PubChem CID136718442
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol
SMILESCOc1cc2[nH]c(O)c(/N=N/c3cc(C)cc(C)c3)c2cc1OC
InChIInChI=1S/C18H19N3O3/c1-10-5-11(2)7-12(6-10)20-21-17-13-8-15(23-3)16(24-4)9-14(13)19-18(17)22/h5-9,19,22H,1-4H3/b21-20+
InChIKeyAYALMCZNUQJXAP-QZQOTICOSA-N
XLogP4.92
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.92
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

5,6-dimethoxy-3-[(3-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136718435
2-hydroxy-5,6-dimethoxy-1H-indole-3-carboxamide
CID 174277153
4-[(3,5-dimethylphenyl)diazenyl]-8-methoxynaphthalen-1-ol
CID 136662732
9-[(3-methoxyphenyl)diazenyl]-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-f]indol-8-ol
CID 136666218
(4-methylphenyl)-(3,4,5-trimethoxyphenyl)diazene
CID 18739111
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
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
6-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135836805
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
2,3,5,6,8,9-hexamethoxy-11,12-dihydroindolo[2,3-a]carbazole
CID 171935893
CID 135981069
CID 135981069

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol?
The IUPAC name of 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol (CID 136718442) is 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol?
The canonical SMILES for 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol is COc1cc2[nH]c(O)c(/N=N/c3cc(C)cc(C)c3)c2cc1OC.
What is the InChIKey of 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol?
The InChIKey is AYALMCZNUQJXAP-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-10-5-11(2)7-12(6-10)20-21-17-13-8-15(23-3)16(24-4)9-14(13)19-18(17)22/h5-9,19,22H,1-4H3/b21-20+.
What are the key properties of 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol?
3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol has a molecular weight of 325.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)diazenyl]-5,6-dimethoxy-1H-indol-2-ol is sourced from PubChem (CID 136718442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).