1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol

C16H10Cl2N2O2 — CID 135727362

IUPAC1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(Cl)cc(Cl)c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-10-7-12(18)16(14(22)8-10)20-19-15-11-4-2-1-3-9(11)5-6-13(15)21/h1-8,21-22H/b20-19+
InChIKeyHGLYCWPKNOMMCL-FMQUCBEESA-N
MW333.17 g/mol
LogP5.97
Rot. Bonds2

About 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol

1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol (PubChem CID 135727362) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
PubChem CID135727362
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(Cl)cc(Cl)c1/N=N/c1c(O)ccc2ccccc12
InChIInChI=1S/C16H10Cl2N2O2/c17-10-7-12(18)16(14(22)8-10)20-19-15-11-4-2-1-3-9(11)5-6-13(15)21/h1-8,21-22H/b20-19+
InChIKeyHGLYCWPKNOMMCL-FMQUCBEESA-N
XLogP5.97
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol (CID 135727362) is 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol is Oc1cc(Cl)cc(Cl)c1/N=N/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is HGLYCWPKNOMMCL-FMQUCBEESA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-10-7-12(18)16(14(22)8-10)20-19-15-11-4-2-1-3-9(11)5-6-13(15)21/h1-8,21-22H/b20-19+.
What are the key properties of 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol?
1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 333.17 g/mol, XLogP of 5.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichloro-6-hydroxyphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 135727362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).