1-hydroxy-4-nitroanthracene-9,10-dione

C14H7NO5 — CID 3490678

IUPAC1-hydroxy-4-nitroanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21
InChIInChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H
InChIKeyXXUOKOYLVBHBCG-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.08
Rot. Bonds1

About 1-hydroxy-4-nitroanthracene-9,10-dione

1-hydroxy-4-nitroanthracene-9,10-dione (PubChem CID 3490678) has the molecular formula C14H7NO5 and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-hydroxy-4-nitroanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-4-nitroanthracene-9,10-dione
PubChem CID3490678
Molecular FormulaC14H7NO5
Molecular Weight269.21 g/mol
Exact Mass269.03
IUPAC Name1-hydroxy-4-nitroanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21
InChIInChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H
InChIKeyXXUOKOYLVBHBCG-UHFFFAOYSA-N
XLogP2.08
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-4-nitroanthracene-9,10-dione 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-hydroxy-4-nitroanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-4-nitroanthracene-9,10-dione (CID 3490678) is 1-hydroxy-4-nitroanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-4-nitroanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-4-nitroanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21.
What is the InChIKey of 1-hydroxy-4-nitroanthracene-9,10-dione?
The InChIKey is XXUOKOYLVBHBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H.
What are the key properties of 1-hydroxy-4-nitroanthracene-9,10-dione?
1-hydroxy-4-nitroanthracene-9,10-dione has a molecular weight of 269.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-nitroanthracene-9,10-dione is sourced from PubChem (CID 3490678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).