2-methoxy-3-methylanthracene-9,10-dione

C16H12O3 — CID 10514946

IUPAC2-methoxy-3-methylanthracene-9,10-dione
SMILESCOc1cc2c(cc1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O3/c1-9-7-12-13(8-14(9)19-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3
InChIKeyYJILUWQPXMLLTN-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.78
Rot. Bonds1

About 2-methoxy-3-methylanthracene-9,10-dione

2-methoxy-3-methylanthracene-9,10-dione (PubChem CID 10514946) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methoxy-3-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2-methoxy-3-methylanthracene-9,10-dione
PubChem CID10514946
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-methoxy-3-methylanthracene-9,10-dione
SMILESCOc1cc2c(cc1C)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O3/c1-9-7-12-13(8-14(9)19-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3
InChIKeyYJILUWQPXMLLTN-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylanthracene-9,10-dione?
The IUPAC name of 2-methoxy-3-methylanthracene-9,10-dione (CID 10514946) is 2-methoxy-3-methylanthracene-9,10-dione.
What is the SMILES notation for 2-methoxy-3-methylanthracene-9,10-dione?
The canonical SMILES for 2-methoxy-3-methylanthracene-9,10-dione is COc1cc2c(cc1C)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methoxy-3-methylanthracene-9,10-dione?
The InChIKey is YJILUWQPXMLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-9-7-12-13(8-14(9)19-2)16(18)11-6-4-3-5-10(11)15(12)17/h3-8H,1-2H3.
What are the key properties of 2-methoxy-3-methylanthracene-9,10-dione?
2-methoxy-3-methylanthracene-9,10-dione has a molecular weight of 252.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylanthracene-9,10-dione is sourced from PubChem (CID 10514946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).