4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol

C16H11ClN2O — CID 21238072

IUPAC4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2ccc(Cl)cc2)c2ccccc2c1
InChIInChI=1S/C16H11ClN2O/c17-12-5-7-13(8-6-12)18-19-16-10-14(20)9-11-3-1-2-4-15(11)16/h1-10,20H/b19-18+
InChIKeyRKMSSBCWGZJOSE-VHEBQXMUSA-N
MW282.73 g/mol
LogP5.61
Rot. Bonds2

About 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol

4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol (PubChem CID 21238072) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol
PubChem CID21238072
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2ccc(Cl)cc2)c2ccccc2c1
InChIInChI=1S/C16H11ClN2O/c17-12-5-7-13(8-6-12)18-19-16-10-14(20)9-11-3-1-2-4-15(11)16/h1-10,20H/b19-18+
InChIKeyRKMSSBCWGZJOSE-VHEBQXMUSA-N
XLogP5.61
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.73
LogP ≤ 55.61
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-[(4-chlorophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol (CID 21238072) is 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol is Oc1cc(/N=N/c2ccc(Cl)cc2)c2ccccc2c1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is RKMSSBCWGZJOSE-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-12-5-7-13(8-6-12)18-19-16-10-14(20)9-11-3-1-2-4-15(11)16/h1-10,20H/b19-18+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol?
4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 282.73 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 21238072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).