1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol

C16H15N3O — CID 3101792

IUPAC1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol
SMILESCc1ccccc1/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-11-7-3-5-9-13(11)17-18-15-12-8-4-6-10-14(12)19(2)16(15)20/h3-10,20H,1-2H3/b18-17+
InChIKeyKQHFINYEYNQTSL-ISLYRVAYSA-N
MW265.32 g/mol
LogP4.61
Rot. Bonds2

About 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol

1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol (PubChem CID 3101792) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol
PubChem CID3101792
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol
SMILESCc1ccccc1/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-11-7-3-5-9-13(11)17-18-15-12-8-4-6-10-14(12)19(2)16(15)20/h3-10,20H,1-2H3/b18-17+
InChIKeyKQHFINYEYNQTSL-ISLYRVAYSA-N
XLogP4.61
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol (CID 3101792) is 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol is Cc1ccccc1/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol?
The InChIKey is KQHFINYEYNQTSL-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-7-3-5-9-13(11)17-18-15-12-8-4-6-10-14(12)19(2)16(15)20/h3-10,20H,1-2H3/b18-17+.
What are the key properties of 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol?
1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol has a molecular weight of 265.32 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylphenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 3101792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).