8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione

C13H8O5 — CID 70686001

IUPAC8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cocc1C2=O
InChIInChI=1S/C13H8O5/c1-17-6-2-7-11(10(14)3-6)13(16)9-5-18-4-8(9)12(7)15/h2-5,14H,1H3
InChIKeyNPKYBMODAXLIRV-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.77
Rot. Bonds1

About 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione

8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione (PubChem CID 70686001) has the molecular formula C13H8O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione.

Molecular Properties

Compound Name8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
PubChem CID70686001
Molecular FormulaC13H8O5
Molecular Weight244.20 g/mol
Exact Mass244.04
IUPAC Name8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
SMILESCOc1cc(O)c2c(c1)C(=O)c1cocc1C2=O
InChIInChI=1S/C13H8O5/c1-17-6-2-7-11(10(14)3-6)13(16)9-5-18-4-8(9)12(7)15/h2-5,14H,1H3
InChIKeyNPKYBMODAXLIRV-UHFFFAOYSA-N
XLogP1.77
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione?
The IUPAC name of 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione (CID 70686001) is 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione.
What is the SMILES notation for 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione?
The canonical SMILES for 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione is COc1cc(O)c2c(c1)C(=O)c1cocc1C2=O.
What is the InChIKey of 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione?
The InChIKey is NPKYBMODAXLIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O5/c1-17-6-2-7-11(10(14)3-6)13(16)9-5-18-4-8(9)12(7)15/h2-5,14H,1H3.
What are the key properties of 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione?
8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione has a molecular weight of 244.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione is sourced from PubChem (CID 70686001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).