1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol

C18H18ClN3O — CID 135857077

IUPAC1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O/c1-2-3-12-22-16-11-7-4-8-13(16)17(18(22)23)21-20-15-10-6-5-9-14(15)19/h4-11,23H,2-3,12H2,1H3/b21-20+
InChIKeyZAKFDZUTKOLQIV-QZQOTICOSA-N
MW327.82 g/mol
LogP6.22
Rot. Bonds5

About 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol

1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol (PubChem CID 135857077) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol
PubChem CID135857077
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H18ClN3O/c1-2-3-12-22-16-11-7-4-8-13(16)17(18(22)23)21-20-15-10-6-5-9-14(15)19/h4-11,23H,2-3,12H2,1H3/b21-20+
InChIKeyZAKFDZUTKOLQIV-QZQOTICOSA-N
XLogP6.22
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.82
LogP ≤ 56.22
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-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol?
The IUPAC name of 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol (CID 135857077) is 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol.
What is the SMILES notation for 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol?
The canonical SMILES for 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol is CCCCn1c(O)c(/N=N/c2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol?
The InChIKey is ZAKFDZUTKOLQIV-QZQOTICOSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-3-12-22-16-11-7-4-8-13(16)17(18(22)23)21-20-15-10-6-5-9-14(15)19/h4-11,23H,2-3,12H2,1H3/b21-20+.
What are the key properties of 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol?
1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol has a molecular weight of 327.82 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(2-chlorophenyl)diazenyl]indol-2-ol is sourced from PubChem (CID 135857077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).