6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

C20H20O4 — CID 121263954

IUPAC6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCOCC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1
InChIInChI=1S/C20H20O4/c1-11-9-24-19-13-6-7-14-12(5-4-8-20(14,2)10-23-3)16(13)18(22)17(21)15(11)19/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyNSWMXVZTQCWSEF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.87
Rot. Bonds2

About 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione

6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione (PubChem CID 121263954) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.

Molecular Properties

Compound Name6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
PubChem CID121263954
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
SMILESCOCC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1
InChIInChI=1S/C20H20O4/c1-11-9-24-19-13-6-7-14-12(5-4-8-20(14,2)10-23-3)16(13)18(22)17(21)15(11)19/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyNSWMXVZTQCWSEF-UHFFFAOYSA-N
XLogP3.87
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The IUPAC name of 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione (CID 121263954) is 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione.
What is the SMILES notation for 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The canonical SMILES for 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione is COCC1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1.
What is the InChIKey of 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione?
The InChIKey is NSWMXVZTQCWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-11-9-24-19-13-6-7-14-12(5-4-8-20(14,2)10-23-3)16(13)18(22)17(21)15(11)19/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione?
6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione has a molecular weight of 324.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione is sourced from PubChem (CID 121263954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).