10-(methyldiazenyl)anthracene-1,4,9-triol

C15H12N2O3 — CID 4180559

IUPAC10-(methyldiazenyl)anthracene-1,4,9-triol
SMILESC/N=N/c1c2ccccc2c(O)c2c(O)ccc(O)c12
InChIInChI=1S/C15H12N2O3/c1-16-17-14-8-4-2-3-5-9(8)15(20)13-11(19)7-6-10(18)12(13)14/h2-7,18-20H,1H3/b17-16+
InChIKeyDBUQZVUGLYNOLS-WUKNDPDISA-N
MW268.27 g/mol
LogP3.82
Rot. Bonds1

About 10-(methyldiazenyl)anthracene-1,4,9-triol

10-(methyldiazenyl)anthracene-1,4,9-triol (PubChem CID 4180559) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 10-(methyldiazenyl)anthracene-1,4,9-triol.

Molecular Properties

Compound Name10-(methyldiazenyl)anthracene-1,4,9-triol
PubChem CID4180559
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name10-(methyldiazenyl)anthracene-1,4,9-triol
SMILESC/N=N/c1c2ccccc2c(O)c2c(O)ccc(O)c12
InChIInChI=1S/C15H12N2O3/c1-16-17-14-8-4-2-3-5-9(8)15(20)13-11(19)7-6-10(18)12(13)14/h2-7,18-20H,1H3/b17-16+
InChIKeyDBUQZVUGLYNOLS-WUKNDPDISA-N
XLogP3.82
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.82
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(methyldiazenyl)anthracene-1,4,9-triol?
The IUPAC name of 10-(methyldiazenyl)anthracene-1,4,9-triol (CID 4180559) is 10-(methyldiazenyl)anthracene-1,4,9-triol.
What is the SMILES notation for 10-(methyldiazenyl)anthracene-1,4,9-triol?
The canonical SMILES for 10-(methyldiazenyl)anthracene-1,4,9-triol is C/N=N/c1c2ccccc2c(O)c2c(O)ccc(O)c12.
What is the InChIKey of 10-(methyldiazenyl)anthracene-1,4,9-triol?
The InChIKey is DBUQZVUGLYNOLS-WUKNDPDISA-N. The full InChI is InChI=1S/C15H12N2O3/c1-16-17-14-8-4-2-3-5-9(8)15(20)13-11(19)7-6-10(18)12(13)14/h2-7,18-20H,1H3/b17-16+.
What are the key properties of 10-(methyldiazenyl)anthracene-1,4,9-triol?
10-(methyldiazenyl)anthracene-1,4,9-triol has a molecular weight of 268.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(methyldiazenyl)anthracene-1,4,9-triol is sourced from PubChem (CID 4180559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).