2-(methoxymethyl)anthracene-9,10-dione

C16H12O3 — CID 20645230

IUPAC2-(methoxymethyl)anthracene-9,10-dione
SMILESCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O3/c1-19-9-10-6-7-13-14(8-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-8H,9H2,1H3
InChIKeyQLQSLEXHHJFYQY-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.61
Rot. Bonds2

About 2-(methoxymethyl)anthracene-9,10-dione

2-(methoxymethyl)anthracene-9,10-dione (PubChem CID 20645230) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(methoxymethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(methoxymethyl)anthracene-9,10-dione
PubChem CID20645230
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(methoxymethyl)anthracene-9,10-dione
SMILESCOCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O3/c1-19-9-10-6-7-13-14(8-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-8H,9H2,1H3
InChIKeyQLQSLEXHHJFYQY-UHFFFAOYSA-N
XLogP2.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methoxymethyl)anthracene-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 2-(methoxymethyl)anthracene-9,10-dione?
The IUPAC name of 2-(methoxymethyl)anthracene-9,10-dione (CID 20645230) is 2-(methoxymethyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(methoxymethyl)anthracene-9,10-dione?
The canonical SMILES for 2-(methoxymethyl)anthracene-9,10-dione is COCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(methoxymethyl)anthracene-9,10-dione?
The InChIKey is QLQSLEXHHJFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-19-9-10-6-7-13-14(8-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-8H,9H2,1H3.
What are the key properties of 2-(methoxymethyl)anthracene-9,10-dione?
2-(methoxymethyl)anthracene-9,10-dione has a molecular weight of 252.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)anthracene-9,10-dione is sourced from PubChem (CID 20645230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).