5-chloro-3-hydroxy-3H-2-benzofuran-1-one

C8H5ClO3 — CID 12527053

IUPAC5-chloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cc(Cl)ccc21
InChIInChI=1S/C8H5ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,8,11H
InChIKeyNXQWJRQHEAHYRK-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.50
Rot. Bonds

About 5-chloro-3-hydroxy-3H-2-benzofuran-1-one

5-chloro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 12527053) has the molecular formula C8H5ClO3 and a molecular weight of 184.58 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID12527053
Molecular FormulaC8H5ClO3
Molecular Weight184.58 g/mol
Exact Mass183.99
IUPAC Name5-chloro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2cc(Cl)ccc21
InChIInChI=1S/C8H5ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,8,11H
InChIKeyNXQWJRQHEAHYRK-UHFFFAOYSA-N
XLogP1.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-hydroxy-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 5-chloro-3-hydroxy-3H-2-benzofuran-1-one (CID 12527053) is 5-chloro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-chloro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 5-chloro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is NXQWJRQHEAHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,8,11H.
What are the key properties of 5-chloro-3-hydroxy-3H-2-benzofuran-1-one?
5-chloro-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 184.58 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 12527053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).