1-[(3-methylphenyl)diazenyl]naphthalen-2-ol

C17H14N2O — CID 588850

IUPAC1-[(3-methylphenyl)diazenyl]naphthalen-2-ol
SMILESCc1cccc(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H14N2O/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+
InChIKeyJUJMCFHEARUISM-VHEBQXMUSA-N
MW262.31 g/mol
LogP5.27
Rot. Bonds2

About 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol

1-[(3-methylphenyl)diazenyl]naphthalen-2-ol (PubChem CID 588850) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-methylphenyl)diazenyl]naphthalen-2-ol
PubChem CID588850
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[(3-methylphenyl)diazenyl]naphthalen-2-ol
SMILESCc1cccc(/N=N/c2c(O)ccc3ccccc23)c1
InChIInChI=1S/C17H14N2O/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+
InChIKeyJUJMCFHEARUISM-VHEBQXMUSA-N
XLogP5.27
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.31
LogP ≤ 55.27
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 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol (CID 588850) is 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol is Cc1cccc(/N=N/c2c(O)ccc3ccccc23)c1.
What is the InChIKey of 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol?
The InChIKey is JUJMCFHEARUISM-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-5-4-7-14(11-12)18-19-17-15-8-3-2-6-13(15)9-10-16(17)20/h2-11,20H,1H3/b19-18+.
What are the key properties of 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol?
1-[(3-methylphenyl)diazenyl]naphthalen-2-ol has a molecular weight of 262.31 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 588850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).