2,6-dimethoxyanthracene-9,10-dione

C16H12O4 — CID 4589998

IUPAC2,6-dimethoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=O
InChIInChI=1S/C16H12O4/c1-19-9-3-5-11-13(7-9)15(17)12-6-4-10(20-2)8-14(12)16(11)18/h3-8H,1-2H3
InChIKeyVZXGMACDZPAQOP-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.48
Rot. Bonds2

About 2,6-dimethoxyanthracene-9,10-dione

2,6-dimethoxyanthracene-9,10-dione (PubChem CID 4589998) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,6-dimethoxyanthracene-9,10-dione.

Molecular Properties

Compound Name2,6-dimethoxyanthracene-9,10-dione
PubChem CID4589998
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name2,6-dimethoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=O
InChIInChI=1S/C16H12O4/c1-19-9-3-5-11-13(7-9)15(17)12-6-4-10(20-2)8-14(12)16(11)18/h3-8H,1-2H3
InChIKeyVZXGMACDZPAQOP-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,6-dimethoxyanthracene-9,10-dione?
The IUPAC name of 2,6-dimethoxyanthracene-9,10-dione (CID 4589998) is 2,6-dimethoxyanthracene-9,10-dione.
What is the SMILES notation for 2,6-dimethoxyanthracene-9,10-dione?
The canonical SMILES for 2,6-dimethoxyanthracene-9,10-dione is COc1ccc2c(c1)C(=O)c1ccc(OC)cc1C2=O.
What is the InChIKey of 2,6-dimethoxyanthracene-9,10-dione?
The InChIKey is VZXGMACDZPAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-9-3-5-11-13(7-9)15(17)12-6-4-10(20-2)8-14(12)16(11)18/h3-8H,1-2H3.
What are the key properties of 2,6-dimethoxyanthracene-9,10-dione?
2,6-dimethoxyanthracene-9,10-dione has a molecular weight of 268.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxyanthracene-9,10-dione is sourced from PubChem (CID 4589998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).