1-methoxyanthracene-9,10-dione

C15H10O3 — CID 6707

IUPAC1-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3
InChIKeyCQGDBBBZCJYDRY-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.47
Rot. Bonds1

About 1-methoxyanthracene-9,10-dione

1-methoxyanthracene-9,10-dione (PubChem CID 6707) has the molecular formula C15H10O3 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-methoxyanthracene-9,10-dione
PubChem CID6707
Molecular FormulaC15H10O3
Molecular Weight238.24 g/mol
Exact Mass238.06
IUPAC Name1-methoxyanthracene-9,10-dione
SMILESCOc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3
InChIKeyCQGDBBBZCJYDRY-UHFFFAOYSA-N
XLogP2.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxyanthracene-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-methoxyanthracene-9,10-dione?
The IUPAC name of 1-methoxyanthracene-9,10-dione (CID 6707) is 1-methoxyanthracene-9,10-dione.
What is the SMILES notation for 1-methoxyanthracene-9,10-dione?
The canonical SMILES for 1-methoxyanthracene-9,10-dione is COc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-methoxyanthracene-9,10-dione?
The InChIKey is CQGDBBBZCJYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3/c1-18-12-8-4-7-11-13(12)15(17)10-6-3-2-5-9(10)14(11)16/h2-8H,1H3.
What are the key properties of 1-methoxyanthracene-9,10-dione?
1-methoxyanthracene-9,10-dione has a molecular weight of 238.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyanthracene-9,10-dione is sourced from PubChem (CID 6707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).