4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol

C16H9Cl3N2O — CID 21238087

IUPAC4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2c1
InChIInChI=1S/C16H9Cl3N2O/c17-10-6-13(18)16(14(19)7-10)21-20-15-8-11(22)5-9-3-1-2-4-12(9)15/h1-8,22H/b21-20+
InChIKeyXWUVPIVDGAZCNB-QZQOTICOSA-N
MW351.62 g/mol
LogP6.92
Rot. Bonds2

About 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol

4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol (PubChem CID 21238087) has the molecular formula C16H9Cl3N2O and a molecular weight of 351.62 g/mol. Its IUPAC name is 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol
PubChem CID21238087
Molecular FormulaC16H9Cl3N2O
Molecular Weight351.62 g/mol
Exact Mass349.98
IUPAC Name4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2c1
InChIInChI=1S/C16H9Cl3N2O/c17-10-6-13(18)16(14(19)7-10)21-20-15-8-11(22)5-9-3-1-2-4-12(9)15/h1-8,22H/b21-20+
InChIKeyXWUVPIVDGAZCNB-QZQOTICOSA-N
XLogP6.92
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol (CID 21238087) is 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol is Oc1cc(/N=N/c2c(Cl)cc(Cl)cc2Cl)c2ccccc2c1.
What is the InChIKey of 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is XWUVPIVDGAZCNB-QZQOTICOSA-N. The full InChI is InChI=1S/C16H9Cl3N2O/c17-10-6-13(18)16(14(19)7-10)21-20-15-8-11(22)5-9-3-1-2-4-12(9)15/h1-8,22H/b21-20+.
What are the key properties of 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol?
4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 351.62 g/mol, XLogP of 6.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-trichlorophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 21238087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).