naphtho[3,2-b][1]benzofuran-6,11-dione

C16H8O3 — CID 2786514

IUPACnaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C16H8O3/c17-14-9-5-1-2-6-10(9)15(18)16-13(14)11-7-3-4-8-12(11)19-16/h1-8H
InChIKeyKJJCDKMDOSESJB-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.21
Rot. Bonds

About naphtho[3,2-b][1]benzofuran-6,11-dione

naphtho[3,2-b][1]benzofuran-6,11-dione (PubChem CID 2786514) has the molecular formula C16H8O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is naphtho[3,2-b][1]benzofuran-6,11-dione.

Molecular Properties

Compound Namenaphtho[3,2-b][1]benzofuran-6,11-dione
PubChem CID2786514
Molecular FormulaC16H8O3
Molecular Weight248.24 g/mol
Exact Mass248.05
IUPAC Namenaphtho[3,2-b][1]benzofuran-6,11-dione
SMILESO=C1c2ccccc2C(=O)c2c1oc1ccccc21
InChIInChI=1S/C16H8O3/c17-14-9-5-1-2-6-10(9)15(18)16-13(14)11-7-3-4-8-12(11)19-16/h1-8H
InChIKeyKJJCDKMDOSESJB-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze naphtho[3,2-b][1]benzofuran-6,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of naphtho[3,2-b][1]benzofuran-6,11-dione?
The IUPAC name of naphtho[3,2-b][1]benzofuran-6,11-dione (CID 2786514) is naphtho[3,2-b][1]benzofuran-6,11-dione.
What is the SMILES notation for naphtho[3,2-b][1]benzofuran-6,11-dione?
The canonical SMILES for naphtho[3,2-b][1]benzofuran-6,11-dione is O=C1c2ccccc2C(=O)c2c1oc1ccccc21.
What is the InChIKey of naphtho[3,2-b][1]benzofuran-6,11-dione?
The InChIKey is KJJCDKMDOSESJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O3/c17-14-9-5-1-2-6-10(9)15(18)16-13(14)11-7-3-4-8-12(11)19-16/h1-8H.
What are the key properties of naphtho[3,2-b][1]benzofuran-6,11-dione?
naphtho[3,2-b][1]benzofuran-6,11-dione has a molecular weight of 248.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[3,2-b][1]benzofuran-6,11-dione is sourced from PubChem (CID 2786514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).