2,3,5,6-tetrachloro-4-phenyldiazenylphenol

C12H6Cl4N2O — CID 137143109

IUPAC2,3,5,6-tetrachloro-4-phenyldiazenylphenol
SMILESOc1c(Cl)c(Cl)c(/N=N/c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl4N2O/c13-7-9(15)12(19)10(16)8(14)11(7)18-17-6-4-2-1-3-5-6/h1-5,19H/b18-17+
InChIKeyYIQRVRHRYWTKMR-ISLYRVAYSA-N
MW336.01 g/mol
LogP6.42
Rot. Bonds2

About 2,3,5,6-tetrachloro-4-phenyldiazenylphenol

2,3,5,6-tetrachloro-4-phenyldiazenylphenol (PubChem CID 137143109) has the molecular formula C12H6Cl4N2O and a molecular weight of 336.01 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-phenyldiazenylphenol
PubChem CID137143109
Molecular FormulaC12H6Cl4N2O
Molecular Weight336.01 g/mol
Exact Mass333.92
IUPAC Name2,3,5,6-tetrachloro-4-phenyldiazenylphenol
SMILESOc1c(Cl)c(Cl)c(/N=N/c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C12H6Cl4N2O/c13-7-9(15)12(19)10(16)8(14)11(7)18-17-6-4-2-1-3-5-6/h1-5,19H/b18-17+
InChIKeyYIQRVRHRYWTKMR-ISLYRVAYSA-N
XLogP6.42
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.01
LogP ≤ 56.42
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-4-phenyldiazenylphenol?
The IUPAC name of 2,3,5,6-tetrachloro-4-phenyldiazenylphenol (CID 137143109) is 2,3,5,6-tetrachloro-4-phenyldiazenylphenol.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-phenyldiazenylphenol?
The canonical SMILES for 2,3,5,6-tetrachloro-4-phenyldiazenylphenol is Oc1c(Cl)c(Cl)c(/N=N/c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-phenyldiazenylphenol?
The InChIKey is YIQRVRHRYWTKMR-ISLYRVAYSA-N. The full InChI is InChI=1S/C12H6Cl4N2O/c13-7-9(15)12(19)10(16)8(14)11(7)18-17-6-4-2-1-3-5-6/h1-5,19H/b18-17+.
What are the key properties of 2,3,5,6-tetrachloro-4-phenyldiazenylphenol?
2,3,5,6-tetrachloro-4-phenyldiazenylphenol has a molecular weight of 336.01 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrachloro-4-phenyldiazenylphenol is sourced from PubChem (CID 137143109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).