2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione

C17H14O6 — CID 122196300

IUPAC2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
SMILESCOc1ccc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIInChI=1S/C17H14O6/c1-7-6-9-12(17(23-3)13(7)18)16(21)11-8(14(9)19)4-5-10(22-2)15(11)20/h4-6,18,20H,1-3H3
InChIKeySLDOOOYICLSPEH-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.20
Rot. Bonds2

About 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione

2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione (PubChem CID 122196300) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione.

Molecular Properties

Compound Name2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
PubChem CID122196300
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione
SMILESCOc1ccc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O
InChIInChI=1S/C17H14O6/c1-7-6-9-12(17(23-3)13(7)18)16(21)11-8(14(9)19)4-5-10(22-2)15(11)20/h4-6,18,20H,1-3H3
InChIKeySLDOOOYICLSPEH-UHFFFAOYSA-N
XLogP2.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6-acetyloxy-1-hydroxy-5-methoxy-7-methyl-9,10-dioxoanthracen-2-yl) acetate
CID 100997919
2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
CID 163080913
1,3,8-trihydroxy-2-methoxy-7-methylanthracene-9,10-dione
CID 25203826
4,5,10-trihydroxy-9-methoxy-2-methylbenzo[a]fluoren-11-one
CID 141413725
6,7-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
CID 86142829
7-hydroxy-2-methoxy-1,6-dimethylanthracene-9,10-dione
CID 156783023
1,8-dihydroxy-2,7-dimethylanthracene-9,10-dione
CID 102067248
(1-hydroxy-8-methoxy-9,10-dioxoanthracen-2-yl) acetate
CID 67569882
1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
4-hydroxy-5-methoxy-2-benzofuran-1,3-dione
CID 54295752
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
5,6-dihydroxy-7-methoxy-3-methylbenzo[f][2]benzofuran-4,9-dione
CID 137276863

Frequently Asked Questions

What is the IUPAC name of 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione?
The IUPAC name of 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione (CID 122196300) is 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione.
What is the SMILES notation for 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione?
The canonical SMILES for 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione is COc1ccc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O.
What is the InChIKey of 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione?
The InChIKey is SLDOOOYICLSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-7-6-9-12(17(23-3)13(7)18)16(21)11-8(14(9)19)4-5-10(22-2)15(11)20/h4-6,18,20H,1-3H3.
What are the key properties of 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione?
2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione has a molecular weight of 314.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione is sourced from PubChem (CID 122196300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).