1,2-dimethoxyanthracene-9,10-dione

C16H12O4 — CID 4217712

IUPAC1,2-dimethoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1OC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3
InChIKeyAMKRBKSZCGCEJK-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.48
Rot. Bonds2

About 1,2-dimethoxyanthracene-9,10-dione

1,2-dimethoxyanthracene-9,10-dione (PubChem CID 4217712) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1,2-dimethoxyanthracene-9,10-dione.

Molecular Properties

Compound Name1,2-dimethoxyanthracene-9,10-dione
PubChem CID4217712
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name1,2-dimethoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1OC)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3
InChIKeyAMKRBKSZCGCEJK-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 1,2-dimethoxyanthracene-9,10-dione?
The IUPAC name of 1,2-dimethoxyanthracene-9,10-dione (CID 4217712) is 1,2-dimethoxyanthracene-9,10-dione.
What is the SMILES notation for 1,2-dimethoxyanthracene-9,10-dione?
The canonical SMILES for 1,2-dimethoxyanthracene-9,10-dione is COc1ccc2c(c1OC)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,2-dimethoxyanthracene-9,10-dione?
The InChIKey is AMKRBKSZCGCEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-19-12-8-7-11-13(16(12)20-2)15(18)10-6-4-3-5-9(10)14(11)17/h3-8H,1-2H3.
What are the key properties of 1,2-dimethoxyanthracene-9,10-dione?
1,2-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 1,2-dimethoxyanthracene-9,10-dione is sourced from PubChem (CID 4217712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).