1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane

C20H20O4 — CID 144622524

IUPAC1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane
SMILESC=C1C(=O)Oc2c1ccc1c3c(ccc21)C(=C)C(=O)O3.CC.CC
InChIInChI=1S/C16H8O4.2C2H6/c1-7-9-3-5-12-11(13(9)19-15(7)17)6-4-10-8(2)16(18)20-14(10)12;2*1-2/h3-6H,1-2H2;2*1-2H3
InChIKeyADRDHYHNMBMCIE-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.76
Rot. Bonds

About 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane

1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane (PubChem CID 144622524) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane.

Molecular Properties

Compound Name1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane
PubChem CID144622524
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane
SMILESC=C1C(=O)Oc2c1ccc1c3c(ccc21)C(=C)C(=O)O3.CC.CC
InChIInChI=1S/C16H8O4.2C2H6/c1-7-9-3-5-12-11(13(9)19-15(7)17)6-4-10-8(2)16(18)20-14(10)12;2*1-2/h3-6H,1-2H2;2*1-2H3
InChIKeyADRDHYHNMBMCIE-UHFFFAOYSA-N
XLogP4.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane?
The IUPAC name of 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane (CID 144622524) is 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane.
What is the SMILES notation for 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane?
The canonical SMILES for 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane is C=C1C(=O)Oc2c1ccc1c3c(ccc21)C(=C)C(=O)O3.CC.CC.
What is the InChIKey of 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane?
The InChIKey is ADRDHYHNMBMCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O4.2C2H6/c1-7-9-3-5-12-11(13(9)19-15(7)17)6-4-10-8(2)16(18)20-14(10)12;2*1-2/h3-6H,1-2H2;2*1-2H3.
What are the key properties of 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane?
1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane has a molecular weight of 324.38 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylidene-[1]benzofuro[7,6-g][1]benzofuran-2,7-dione;ethane is sourced from PubChem (CID 144622524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).