4-[(3-bromophenyl)diazenyl]naphthalen-2-ol

C16H11BrN2O — CID 21238074

IUPAC4-[(3-bromophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2cccc(Br)c2)c2ccccc2c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-3-6-13(9-12)18-19-16-10-14(20)8-11-4-1-2-7-15(11)16/h1-10,20H/b19-18+
InChIKeyANUBGEHVKHOVLD-VHEBQXMUSA-N
MW327.18 g/mol
LogP5.72
Rot. Bonds2

About 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol

4-[(3-bromophenyl)diazenyl]naphthalen-2-ol (PubChem CID 21238074) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[(3-bromophenyl)diazenyl]naphthalen-2-ol
PubChem CID21238074
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name4-[(3-bromophenyl)diazenyl]naphthalen-2-ol
SMILESOc1cc(/N=N/c2cccc(Br)c2)c2ccccc2c1
InChIInChI=1S/C16H11BrN2O/c17-12-5-3-6-13(9-12)18-19-16-10-14(20)8-11-4-1-2-7-15(11)16/h1-10,20H/b19-18+
InChIKeyANUBGEHVKHOVLD-VHEBQXMUSA-N
XLogP5.72
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.18
LogP ≤ 55.72
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-[(3-bromophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol (CID 21238074) is 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol is Oc1cc(/N=N/c2cccc(Br)c2)c2ccccc2c1.
What is the InChIKey of 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is ANUBGEHVKHOVLD-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-5-3-6-13(9-12)18-19-16-10-14(20)8-11-4-1-2-7-15(11)16/h1-10,20H/b19-18+.
What are the key properties of 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol?
4-[(3-bromophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 327.18 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 21238074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).