1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol

C19H18Cl3N3O — CID 3356910

IUPAC1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
SMILESCC(C)CCn1c(O)c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H18Cl3N3O/c1-11(2)7-8-25-16-6-4-3-5-13(16)17(19(25)26)23-24-18-14(21)9-12(20)10-15(18)22/h3-6,9-11,26H,7-8H2,1-2H3/b24-23+
InChIKeyGYDNLTREQFQTJL-WCWDXBQESA-N
MW410.73 g/mol
LogP7.77
Rot. Bonds5

About 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol

1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol (PubChem CID 3356910) has the molecular formula C19H18Cl3N3O and a molecular weight of 410.73 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
PubChem CID3356910
Molecular FormulaC19H18Cl3N3O
Molecular Weight410.73 g/mol
Exact Mass409.05
IUPAC Name1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
SMILESCC(C)CCn1c(O)c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C19H18Cl3N3O/c1-11(2)7-8-25-16-6-4-3-5-13(16)17(19(25)26)23-24-18-14(21)9-12(20)10-15(18)22/h3-6,9-11,26H,7-8H2,1-2H3/b24-23+
InChIKeyGYDNLTREQFQTJL-WCWDXBQESA-N
XLogP7.77
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 57.77
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-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol (CID 3356910) is 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol is CC(C)CCn1c(O)c(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
The InChIKey is GYDNLTREQFQTJL-WCWDXBQESA-N. The full InChI is InChI=1S/C19H18Cl3N3O/c1-11(2)7-8-25-16-6-4-3-5-13(16)17(19(25)26)23-24-18-14(21)9-12(20)10-15(18)22/h3-6,9-11,26H,7-8H2,1-2H3/b24-23+.
What are the key properties of 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol?
1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol has a molecular weight of 410.73 g/mol, XLogP of 7.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 3356910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).