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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Related Compounds

5,6-dichloro-3-hydroxy-3H-2-benzofuran-1-one
CID 2752586
4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
CID 82544293
5,7-dichloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 102551558
7-chloro-1-hydroxy-1,5-dihydrofuro[3,4-c]quinoline-3,4-dione
CID 21474022
7-chloro-3,4-dihydroxy-6-methoxy-3H-2-benzofuran-1-one
CID 52937639
2,9-dibromo-7,12-dihydroxy-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,14-dione
CID 135130039
3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
CID 13303255
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane
CID 145310067
5-bromo-3-hydroxy-4-iodo-3H-2-benzofuran-1-one
CID 163259517
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
methyl 5-bromo-7-chloro-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 114517269
2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)phenol;ethane;methane
CID 145310066

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).