2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

C18H11ClO3 — CID 15743023

IUPAC2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C18H11ClO3/c19-11-7-5-10(6-8-11)15-9-14-17(21)16(20)12-3-1-2-4-13(12)18(14)22-15/h1-8,15H,9H2
InChIKeySKZNJCWUKIHXMD-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.98
Rot. Bonds1

About 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (PubChem CID 15743023) has the molecular formula C18H11ClO3 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
PubChem CID15743023
Molecular FormulaC18H11ClO3
Molecular Weight310.74 g/mol
Exact Mass310.04
IUPAC Name2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
SMILESO=C1C(=O)c2ccccc2C2=C1CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C18H11ClO3/c19-11-7-5-10(6-8-11)15-9-14-17(21)16(20)12-3-1-2-4-13(12)18(14)22-15/h1-8,15H,9H2
InChIKeySKZNJCWUKIHXMD-UHFFFAOYSA-N
XLogP3.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The IUPAC name of 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione (CID 15743023) is 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The canonical SMILES for 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is O=C1C(=O)c2ccccc2C2=C1CC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
The InChIKey is SKZNJCWUKIHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClO3/c19-11-7-5-10(6-8-11)15-9-14-17(21)16(20)12-3-1-2-4-13(12)18(14)22-15/h1-8,15H,9H2.
What are the key properties of 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione?
2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione has a molecular weight of 310.74 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione is sourced from PubChem (CID 15743023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).