4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one

C8H4Cl2O3 — CID 82544278

IUPAC4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C8H4Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H
InChIKeyKMMVZLYRJHZXTF-UHFFFAOYSA-N
MW219.02 g/mol
LogP2.15
Rot. Bonds

About 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one

4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 82544278) has the molecular formula C8H4Cl2O3 and a molecular weight of 219.02 g/mol. Its IUPAC name is 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID82544278
Molecular FormulaC8H4Cl2O3
Molecular Weight219.02 g/mol
Exact Mass217.95
IUPAC Name4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C8H4Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H
InChIKeyKMMVZLYRJHZXTF-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.02
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one (CID 82544278) is 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is KMMVZLYRJHZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H.
What are the key properties of 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 219.02 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 82544278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).