2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione

C14H8O5 — CID 10015259

IUPAC2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione
SMILESCC(=O)c1cc2c(o1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-5,16H,1H3
InChIKeyRABXYJBFTPBKKL-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.96
Rot. Bonds1

About 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione

2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione (PubChem CID 10015259) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione
PubChem CID10015259
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione
SMILESCC(=O)c1cc2c(o1)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-5,16H,1H3
InChIKeyRABXYJBFTPBKKL-UHFFFAOYSA-N
XLogP1.96
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione (CID 10015259) is 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione is CC(=O)c1cc2c(o1)C(=O)c1cccc(O)c1C2=O.
What is the InChIKey of 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione?
The InChIKey is RABXYJBFTPBKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)11-7(3-2-4-9(11)16)13(18)14(8)19-10/h2-5,16H,1H3.
What are the key properties of 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione?
2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione has a molecular weight of 256.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-hydroxybenzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 10015259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).