naphtho[2,3-f][2]benzofuran-1,3-dione

C16H8O3 — CID 11096934

IUPACnaphtho[2,3-f][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc3cc4ccccc4cc3cc21
InChIInChI=1S/C16H8O3/c17-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(18)19-15/h1-8H
InChIKeyAJXNLGUENUIIRW-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.30
Rot. Bonds

About naphtho[2,3-f][2]benzofuran-1,3-dione

naphtho[2,3-f][2]benzofuran-1,3-dione (PubChem CID 11096934) has the molecular formula C16H8O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is naphtho[2,3-f][2]benzofuran-1,3-dione.

Molecular Properties

Compound Namenaphtho[2,3-f][2]benzofuran-1,3-dione
PubChem CID11096934
Molecular FormulaC16H8O3
Molecular Weight248.24 g/mol
Exact Mass248.05
IUPAC Namenaphtho[2,3-f][2]benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc3cc4ccccc4cc3cc21
InChIInChI=1S/C16H8O3/c17-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(18)19-15/h1-8H
InChIKeyAJXNLGUENUIIRW-UHFFFAOYSA-N
XLogP3.30
TPSA43.37 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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-f][2]benzofuran-1,3-dione?
The IUPAC name of naphtho[2,3-f][2]benzofuran-1,3-dione (CID 11096934) is naphtho[2,3-f][2]benzofuran-1,3-dione.
What is the SMILES notation for naphtho[2,3-f][2]benzofuran-1,3-dione?
The canonical SMILES for naphtho[2,3-f][2]benzofuran-1,3-dione is O=C1OC(=O)c2cc3cc4ccccc4cc3cc21.
What is the InChIKey of naphtho[2,3-f][2]benzofuran-1,3-dione?
The InChIKey is AJXNLGUENUIIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8O3/c17-15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14(13)16(18)19-15/h1-8H.
What are the key properties of naphtho[2,3-f][2]benzofuran-1,3-dione?
naphtho[2,3-f][2]benzofuran-1,3-dione has a molecular weight of 248.24 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-f][2]benzofuran-1,3-dione is sourced from PubChem (CID 11096934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).