1-diazenyl-2-ethylanthracene-9,10-diol

C16H14N2O2 — CID 175330263

IUPAC1-diazenyl-2-ethylanthracene-9,10-diol
SMILES[H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+
InChIKeyGPJHUTLSTXWYGN-ISLYRVAYSA-N
MW266.30 g/mol
LogP4.63
Rot. Bonds2

About 1-diazenyl-2-ethylanthracene-9,10-diol

1-diazenyl-2-ethylanthracene-9,10-diol (PubChem CID 175330263) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-diazenyl-2-ethylanthracene-9,10-diol.

Molecular Properties

Compound Name1-diazenyl-2-ethylanthracene-9,10-diol
PubChem CID175330263
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-diazenyl-2-ethylanthracene-9,10-diol
SMILES[H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+
InChIKeyGPJHUTLSTXWYGN-ISLYRVAYSA-N
XLogP4.63
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 1-diazenyl-2-ethylanthracene-9,10-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-2-ethylanthracene-9,10-diol?
The IUPAC name of 1-diazenyl-2-ethylanthracene-9,10-diol (CID 175330263) is 1-diazenyl-2-ethylanthracene-9,10-diol.
What is the SMILES notation for 1-diazenyl-2-ethylanthracene-9,10-diol?
The canonical SMILES for 1-diazenyl-2-ethylanthracene-9,10-diol is [H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12.
What is the InChIKey of 1-diazenyl-2-ethylanthracene-9,10-diol?
The InChIKey is GPJHUTLSTXWYGN-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+.
What are the key properties of 1-diazenyl-2-ethylanthracene-9,10-diol?
1-diazenyl-2-ethylanthracene-9,10-diol has a molecular weight of 266.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-2-ethylanthracene-9,10-diol is sourced from PubChem (CID 175330263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).