11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione

C22H12O3 — CID 162655189

IUPAC11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione
SMILESO=C1C=CC(=O)c2c1cc1oc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C22H12O3/c23-16-10-11-17(24)21-15(16)12-19-22(14-8-4-5-9-18(14)25-19)20(21)13-6-2-1-3-7-13/h1-12H
InChIKeyRQCSWLJEFOKLBO-UHFFFAOYSA-N
MW324.34 g/mol
LogP5.19
Rot. Bonds1

About 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione

11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione (PubChem CID 162655189) has the molecular formula C22H12O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione.

Molecular Properties

Compound Name11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione
PubChem CID162655189
Molecular FormulaC22H12O3
Molecular Weight324.34 g/mol
Exact Mass324.08
IUPAC Name11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione
SMILESO=C1C=CC(=O)c2c1cc1oc3ccccc3c1c2-c1ccccc1
InChIInChI=1S/C22H12O3/c23-16-10-11-17(24)21-15(16)12-19-22(14-8-4-5-9-18(14)25-19)20(21)13-6-2-1-3-7-13/h1-12H
InChIKeyRQCSWLJEFOKLBO-UHFFFAOYSA-N
XLogP5.19
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.34
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione?
The IUPAC name of 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione (CID 162655189) is 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione.
What is the SMILES notation for 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione?
The canonical SMILES for 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione is O=C1C=CC(=O)c2c1cc1oc3ccccc3c1c2-c1ccccc1.
What is the InChIKey of 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione?
The InChIKey is RQCSWLJEFOKLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O3/c23-16-10-11-17(24)21-15(16)12-19-22(14-8-4-5-9-18(14)25-19)20(21)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione?
11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione has a molecular weight of 324.34 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylnaphtho[7,6-b][1]benzofuran-7,10-dione is sourced from PubChem (CID 162655189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).