phenanthro[9,10-f][2]benzofuran-10,12-dione

C20H10O3 — CID 15267806

IUPACphenanthro[9,10-f][2]benzofuran-10,12-dione
SMILESO=C1OC(=O)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C20H10O3/c21-19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20(22)23-19/h1-10H
InChIKeyJVTIDBOWBCAXQA-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.46
Rot. Bonds

About phenanthro[9,10-f][2]benzofuran-10,12-dione

phenanthro[9,10-f][2]benzofuran-10,12-dione (PubChem CID 15267806) has the molecular formula C20H10O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is phenanthro[9,10-f][2]benzofuran-10,12-dione.

Molecular Properties

Compound Namephenanthro[9,10-f][2]benzofuran-10,12-dione
PubChem CID15267806
Molecular FormulaC20H10O3
Molecular Weight298.30 g/mol
Exact Mass298.06
IUPAC Namephenanthro[9,10-f][2]benzofuran-10,12-dione
SMILESO=C1OC(=O)c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C20H10O3/c21-19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20(22)23-19/h1-10H
InChIKeyJVTIDBOWBCAXQA-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.46
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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthro[9,10-f][2]benzofuran-10,12-dione?
The IUPAC name of phenanthro[9,10-f][2]benzofuran-10,12-dione (CID 15267806) is phenanthro[9,10-f][2]benzofuran-10,12-dione.
What is the SMILES notation for phenanthro[9,10-f][2]benzofuran-10,12-dione?
The canonical SMILES for phenanthro[9,10-f][2]benzofuran-10,12-dione is O=C1OC(=O)c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of phenanthro[9,10-f][2]benzofuran-10,12-dione?
The InChIKey is JVTIDBOWBCAXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10O3/c21-19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20(22)23-19/h1-10H.
What are the key properties of phenanthro[9,10-f][2]benzofuran-10,12-dione?
phenanthro[9,10-f][2]benzofuran-10,12-dione has a molecular weight of 298.30 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthro[9,10-f][2]benzofuran-10,12-dione is sourced from PubChem (CID 15267806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).