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

C8H4Cl2O3 — CID 2752586

IUPAC5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H4Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2,7,11H
InChIKeyAYZIELGHYOUWQP-UHFFFAOYSA-N
MW219.02 g/mol
LogP2.15
Rot. Bonds

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

5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 2752586) has the molecular formula C8H4Cl2O3 and a molecular weight of 219.02 g/mol. Its IUPAC name is 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID2752586
Molecular FormulaC8H4Cl2O3
Molecular Weight219.02 g/mol
Exact Mass217.95
IUPAC Name5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C8H4Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2,7,11H
InChIKeyAYZIELGHYOUWQP-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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Related Compounds

4,5-Dichlorophthalic anhydride
CID 70334
5-Chloro-1,3-dihydro-2-benzofuran-1-one
CID 241737
Dichlorophthalic anhydride
CID 3016714
(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylene]isobenzofuran-1-one
CID 15959080
4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one
CID 618308
6-Chloro-3H-isobenzofuran-1-one
CID 7174165
6-chloro-3-hydroxy-3H-2-benzofuran-1-one
CID 11019553
7-Chloro-3-hydroxy-3H-isobenzofuran-1-one
CID 12527051
5-chloro-3-hydroxy-3H-isobenzofuran-1-one
CID 12527053
ethyl (2E)-2-(5,6-dichloro-3-oxo-2-benzofuran-1-ylidene)acetate
CID 13056242
5,6-Dichloro-3H-isobenzofuran-1-one
CID 14418077
Tetrachlorphthalide
CID 18004086

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one (CID 2752586) is 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is AYZIELGHYOUWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h1-2,7,11H.
What are the key properties of 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one?
5,6-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 5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 2752586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).