3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one

C8H7O4P — CID 10198088

IUPAC3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one
SMILESO=C1OP(=O)(O)Cc2ccccc21
InChIInChI=1S/C8H7O4P/c9-8-7-4-2-1-3-6(7)5-13(10,11)12-8/h1-4H,5H2,(H,10,11)
InChIKeyOXQGBZDCUACWFZ-UHFFFAOYSA-N
MW198.11 g/mol
LogP1.54
Rot. Bonds

About 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one

3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one (PubChem CID 10198088) has the molecular formula C8H7O4P and a molecular weight of 198.11 g/mol. Its IUPAC name is 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one.

Molecular Properties

Compound Name3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one
PubChem CID10198088
Molecular FormulaC8H7O4P
Molecular Weight198.11 g/mol
Exact Mass198.01
IUPAC Name3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one
SMILESO=C1OP(=O)(O)Cc2ccccc21
InChIInChI=1S/C8H7O4P/c9-8-7-4-2-1-3-6(7)5-13(10,11)12-8/h1-4H,5H2,(H,10,11)
InChIKeyOXQGBZDCUACWFZ-UHFFFAOYSA-N
XLogP1.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one?
The IUPAC name of 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one (CID 10198088) is 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one.
What is the SMILES notation for 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one?
The canonical SMILES for 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one is O=C1OP(=O)(O)Cc2ccccc21.
What is the InChIKey of 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one?
The InChIKey is OXQGBZDCUACWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O4P/c9-8-7-4-2-1-3-6(7)5-13(10,11)12-8/h1-4H,5H2,(H,10,11).
What are the key properties of 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one?
3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one has a molecular weight of 198.11 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-oxo-4H-2,3λ5-benzoxaphosphinin-1-one is sourced from PubChem (CID 10198088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).