4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one

C8H2Cl4O3 — CID 618308

IUPAC4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C8H2Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11/h7,13H
InChIKeyNBRIPYIDTFTKHP-UHFFFAOYSA-N
MW287.91 g/mol
LogP3.46
Rot. Bonds

About 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one

4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 618308) has the molecular formula C8H2Cl4O3 and a molecular weight of 287.91 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID618308
Molecular FormulaC8H2Cl4O3
Molecular Weight287.91 g/mol
Exact Mass285.88
IUPAC Name4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C8H2Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11/h7,13H
InChIKeyNBRIPYIDTFTKHP-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.91
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one (CID 618308) is 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21.
What is the InChIKey of 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is NBRIPYIDTFTKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11/h7,13H.
What are the key properties of 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one?
4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 287.91 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 618308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).