(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid

C8H7O5P — CID 14644320

IUPAC(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid
SMILESO=C1OC(P(=O)(O)O)c2ccccc21
InChIInChI=1S/C8H7O5P/c9-7-5-3-1-2-4-6(5)8(13-7)14(10,11)12/h1-4,8H,(H2,10,11,12)
InChIKeyFCWLIFWRJMCIAC-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.03
Rot. Bonds1

About (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid

(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid (PubChem CID 14644320) has the molecular formula C8H7O5P and a molecular weight of 214.11 g/mol. Its IUPAC name is (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid.

Molecular Properties

Compound Name(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid
PubChem CID14644320
Molecular FormulaC8H7O5P
Molecular Weight214.11 g/mol
Exact Mass214.00
IUPAC Name(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid
SMILESO=C1OC(P(=O)(O)O)c2ccccc21
InChIInChI=1S/C8H7O5P/c9-7-5-3-1-2-4-6(5)8(13-7)14(10,11)12/h1-4,8H,(H2,10,11,12)
InChIKeyFCWLIFWRJMCIAC-UHFFFAOYSA-N
XLogP1.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-oxo-1H-2-benzofuran-1-yl)phosphonic 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 (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid?
The IUPAC name of (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid (CID 14644320) is (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid.
What is the SMILES notation for (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid?
The canonical SMILES for (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid is O=C1OC(P(=O)(O)O)c2ccccc21.
What is the InChIKey of (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid?
The InChIKey is FCWLIFWRJMCIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O5P/c9-7-5-3-1-2-4-6(5)8(13-7)14(10,11)12/h1-4,8H,(H2,10,11,12).
What are the key properties of (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid?
(3-oxo-1H-2-benzofuran-1-yl)phosphonic acid has a molecular weight of 214.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1H-2-benzofuran-1-yl)phosphonic acid is sourced from PubChem (CID 14644320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).