5,6-dichloro-3H-2-benzofuran-1-one

C8H4Cl2O2 — CID 14418077

IUPAC5,6-dichloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H4Cl2O2/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2H,3H2
InChIKeyXWVBIBALUARHOS-UHFFFAOYSA-N
MW203.02 g/mol
LogP2.66
Rot. Bonds

About 5,6-dichloro-3H-2-benzofuran-1-one

5,6-dichloro-3H-2-benzofuran-1-one (PubChem CID 14418077) has the molecular formula C8H4Cl2O2 and a molecular weight of 203.02 g/mol. Its IUPAC name is 5,6-dichloro-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5,6-dichloro-3H-2-benzofuran-1-one
PubChem CID14418077
Molecular FormulaC8H4Cl2O2
Molecular Weight203.02 g/mol
Exact Mass201.96
IUPAC Name5,6-dichloro-3H-2-benzofuran-1-one
SMILESO=C1OCc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H4Cl2O2/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2H,3H2
InChIKeyXWVBIBALUARHOS-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.02
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3H-2-benzofuran-1-one?
The IUPAC name of 5,6-dichloro-3H-2-benzofuran-1-one (CID 14418077) is 5,6-dichloro-3H-2-benzofuran-1-one.
What is the SMILES notation for 5,6-dichloro-3H-2-benzofuran-1-one?
The canonical SMILES for 5,6-dichloro-3H-2-benzofuran-1-one is O=C1OCc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3H-2-benzofuran-1-one?
The InChIKey is XWVBIBALUARHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O2/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2H,3H2.
What are the key properties of 5,6-dichloro-3H-2-benzofuran-1-one?
5,6-dichloro-3H-2-benzofuran-1-one has a molecular weight of 203.02 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3H-2-benzofuran-1-one is sourced from PubChem (CID 14418077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).