2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol

C16H12N2O3 — CID 135727414

IUPAC2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESOc1ccccc1/N=N/c1ccc2c(O)cccc2c1O
InChIInChI=1S/C16H12N2O3/c19-14-7-3-4-11-10(14)8-9-13(16(11)21)18-17-12-5-1-2-6-15(12)20/h1-9,19-21H/b18-17+
InChIKeyXPLVHMIBCMJRMQ-ISLYRVAYSA-N
MW280.28 g/mol
LogP4.37
Rot. Bonds2

About 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol

2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol (PubChem CID 135727414) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
PubChem CID135727414
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol
SMILESOc1ccccc1/N=N/c1ccc2c(O)cccc2c1O
InChIInChI=1S/C16H12N2O3/c19-14-7-3-4-11-10(14)8-9-13(16(11)21)18-17-12-5-1-2-6-15(12)20/h1-9,19-21H/b18-17+
InChIKeyXPLVHMIBCMJRMQ-ISLYRVAYSA-N
XLogP4.37
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol (CID 135727414) is 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The canonical SMILES for 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol is Oc1ccccc1/N=N/c1ccc2c(O)cccc2c1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
The InChIKey is XPLVHMIBCMJRMQ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14-7-3-4-11-10(14)8-9-13(16(11)21)18-17-12-5-1-2-6-15(12)20/h1-9,19-21H/b18-17+.
What are the key properties of 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol?
2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol has a molecular weight of 280.28 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)diazenyl]naphthalene-1,5-diol is sourced from PubChem (CID 135727414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).