2-methoxy-1,3-dinitroanthracene-9,10-dione

C15H8N2O7 — CID 71720652

IUPAC2-methoxy-1,3-dinitroanthracene-9,10-dione
SMILESCOc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H8N2O7/c1-24-15-10(16(20)21)6-9-11(12(15)17(22)23)14(19)8-5-3-2-4-7(8)13(9)18/h2-6H,1H3
InChIKeyWNJOXEVUSWPWTO-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.29
Rot. Bonds3

About 2-methoxy-1,3-dinitroanthracene-9,10-dione

2-methoxy-1,3-dinitroanthracene-9,10-dione (PubChem CID 71720652) has the molecular formula C15H8N2O7 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-methoxy-1,3-dinitroanthracene-9,10-dione.

Molecular Properties

Compound Name2-methoxy-1,3-dinitroanthracene-9,10-dione
PubChem CID71720652
Molecular FormulaC15H8N2O7
Molecular Weight328.24 g/mol
Exact Mass328.03
IUPAC Name2-methoxy-1,3-dinitroanthracene-9,10-dione
SMILESCOc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H8N2O7/c1-24-15-10(16(20)21)6-9-11(12(15)17(22)23)14(19)8-5-3-2-4-7(8)13(9)18/h2-6H,1H3
InChIKeyWNJOXEVUSWPWTO-UHFFFAOYSA-N
XLogP2.29
TPSA129.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-methoxy-1,3-dinitroanthracene-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

Related Compounds

2-chloro-1,3-dinitroanthracene-9,10-dione
CID 154104523
1,2-dimethoxy-3,4-dinitroanthracene-9,10-dione
CID 154085539
2-methoxy-4-(3-methoxy-2,4,6-trinitrophenyl)-1,3,5-trinitrobenzene
CID 14927168
1-hydroxy-4-methoxy-3-methyl-2-nitroanthracene-9,10-dione
CID 3919311
2-(4-methoxy-3,5-dinitrophenyl)isoindole-1,3-dione
CID 168519853
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
sodium;1-nitroanthracene-9,10-dione;sulfanide
CID 174790562
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
2-bromo-3-nitroanthracene-9,10-dione
CID 154224739
11-methoxy-12-nitro-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
CID 50908785
1-methyl-3-nitroanthracene-9,10-dione
CID 86256957

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dinitroanthracene-9,10-dione?
The IUPAC name of 2-methoxy-1,3-dinitroanthracene-9,10-dione (CID 71720652) is 2-methoxy-1,3-dinitroanthracene-9,10-dione.
What is the SMILES notation for 2-methoxy-1,3-dinitroanthracene-9,10-dione?
The canonical SMILES for 2-methoxy-1,3-dinitroanthracene-9,10-dione is COc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methoxy-1,3-dinitroanthracene-9,10-dione?
The InChIKey is WNJOXEVUSWPWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O7/c1-24-15-10(16(20)21)6-9-11(12(15)17(22)23)14(19)8-5-3-2-4-7(8)13(9)18/h2-6H,1H3.
What are the key properties of 2-methoxy-1,3-dinitroanthracene-9,10-dione?
2-methoxy-1,3-dinitroanthracene-9,10-dione has a molecular weight of 328.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dinitroanthracene-9,10-dione is sourced from PubChem (CID 71720652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).