2-propanoylbenzo[f][1]benzofuran-4,9-dione

C15H10O4 — CID 66561018

IUPAC2-propanoylbenzo[f][1]benzofuran-4,9-dione
SMILESCCC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O4/c1-2-11(16)12-7-10-13(17)8-5-3-4-6-9(8)14(18)15(10)19-12/h3-7H,2H2,1H3
InChIKeyOHWWOWBPRZNFRU-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.65
Rot. Bonds2

About 2-propanoylbenzo[f][1]benzofuran-4,9-dione

2-propanoylbenzo[f][1]benzofuran-4,9-dione (PubChem CID 66561018) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-propanoylbenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-propanoylbenzo[f][1]benzofuran-4,9-dione
PubChem CID66561018
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name2-propanoylbenzo[f][1]benzofuran-4,9-dione
SMILESCCC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10O4/c1-2-11(16)12-7-10-13(17)8-5-3-4-6-9(8)14(18)15(10)19-12/h3-7H,2H2,1H3
InChIKeyOHWWOWBPRZNFRU-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-propanoylbenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-propanoylbenzo[f][1]benzofuran-4,9-dione (CID 66561018) is 2-propanoylbenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-propanoylbenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-propanoylbenzo[f][1]benzofuran-4,9-dione is CCC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-propanoylbenzo[f][1]benzofuran-4,9-dione?
The InChIKey is OHWWOWBPRZNFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O4/c1-2-11(16)12-7-10-13(17)8-5-3-4-6-9(8)14(18)15(10)19-12/h3-7H,2H2,1H3.
What are the key properties of 2-propanoylbenzo[f][1]benzofuran-4,9-dione?
2-propanoylbenzo[f][1]benzofuran-4,9-dione has a molecular weight of 254.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoylbenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 66561018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).