2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid

C10H8O5 — CID 6455371

IUPAC2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OC(=O)c2c(O)cccc21
InChIInChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13)
InChIKeyJUVHLXCMFDJFQF-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.08
Rot. Bonds2

About 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid

2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid (PubChem CID 6455371) has the molecular formula C10H8O5 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
PubChem CID6455371
Molecular FormulaC10H8O5
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid
SMILESO=C(O)CC1OC(=O)c2c(O)cccc21
InChIInChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13)
InChIKeyJUVHLXCMFDJFQF-UHFFFAOYSA-N
XLogP1.08
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid 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 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid (CID 6455371) is 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid is O=C(O)CC1OC(=O)c2c(O)cccc21.
What is the InChIKey of 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid?
The InChIKey is JUVHLXCMFDJFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13).
What are the key properties of 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid?
2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid has a molecular weight of 208.17 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-oxo-1H-2-benzofuran-1-yl)acetic acid is sourced from PubChem (CID 6455371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).