2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione

C14H10O4 — CID 10610171

IUPAC2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione
SMILESCCc1cc2c(o1)-c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C14H10O4/c1-2-7-6-9-12(16)13(17)11-8(14(9)18-7)4-3-5-10(11)15/h3-6,15H,2H2,1H3
InChIKeyZMGOMOMOKAHRPD-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.59
Rot. Bonds1

About 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione

2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione (PubChem CID 10610171) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione
PubChem CID10610171
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione
SMILESCCc1cc2c(o1)-c1cccc(O)c1C(=O)C2=O
InChIInChI=1S/C14H10O4/c1-2-7-6-9-12(16)13(17)11-8(14(9)18-7)4-3-5-10(11)15/h3-6,15H,2H2,1H3
InChIKeyZMGOMOMOKAHRPD-UHFFFAOYSA-N
XLogP2.59
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione (CID 10610171) is 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione is CCc1cc2c(o1)-c1cccc(O)c1C(=O)C2=O.
What is the InChIKey of 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
The InChIKey is ZMGOMOMOKAHRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-2-7-6-9-12(16)13(17)11-8(14(9)18-7)4-3-5-10(11)15/h3-6,15H,2H2,1H3.
What are the key properties of 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione?
2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione has a molecular weight of 242.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-hydroxybenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 10610171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).