7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione

C20H16O6 — CID 11057281

IUPAC7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione
SMILESCOc1cccc2c1C(=O)c1c(cc3c(c1C)C(=O)OC(C)(C)O3)C2=O
InChIInChI=1S/C20H16O6/c1-9-14-11(8-13-15(9)19(23)26-20(2,3)25-13)17(21)10-6-5-7-12(24-4)16(10)18(14)22/h5-8H,1-4H3
InChIKeyODGQDSIIRQJRDT-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.06
Rot. Bonds1

About 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione

7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione (PubChem CID 11057281) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione.

Molecular Properties

Compound Name7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione
PubChem CID11057281
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione
SMILESCOc1cccc2c1C(=O)c1c(cc3c(c1C)C(=O)OC(C)(C)O3)C2=O
InChIInChI=1S/C20H16O6/c1-9-14-11(8-13-15(9)19(23)26-20(2,3)25-13)17(21)10-6-5-7-12(24-4)16(10)18(14)22/h5-8H,1-4H3
InChIKeyODGQDSIIRQJRDT-UHFFFAOYSA-N
XLogP3.06
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethoxyfluoren-9-one
CID 19594782
7-methoxy-2,2-dimethylbenzo[h]chromene-5,6-dione
CID 71397601
11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
CID 10471228
7-methoxy-5-(7-methoxy-2,2-dimethyl-4-oxo-1,3-benzodioxin-5-yl)-2,2-dimethyl-1,3-benzodioxin-4-one
CID 42637614
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
1-hydroxy-8-methoxy-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]anthracene-9,10-dione
CID 95931143
11-hydroxy-1,10-dimethoxy-8-methyltetracene-5,12-dione
CID 10066319
2,2,5-trimethyl-6-phenylmethoxybenzo[g][1,3]benzodioxin-4-one
CID 134846451
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
3-[[(2R,6S)-2,6-dimethylmorpholin-2-yl]methyl]-1,8-dimethoxyanthracene-9,10-dione
CID 175044137

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione?
The IUPAC name of 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione (CID 11057281) is 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione.
What is the SMILES notation for 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione?
The canonical SMILES for 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione is COc1cccc2c1C(=O)c1c(cc3c(c1C)C(=O)OC(C)(C)O3)C2=O.
What is the InChIKey of 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione?
The InChIKey is ODGQDSIIRQJRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-9-14-11(8-13-15(9)19(23)26-20(2,3)25-13)17(21)10-6-5-7-12(24-4)16(10)18(14)22/h5-8H,1-4H3.
What are the key properties of 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione?
7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione has a molecular weight of 352.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,5-trimethylnaphtho[3,2-g][1,3]benzodioxine-4,6,11-trione is sourced from PubChem (CID 11057281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).