7-hydroxy-4H-1,4-benzoxazin-3-one

C8H7NO3 — CID 10057870

IUPAC7-hydroxy-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(O)ccc2N1
InChIInChI=1S/C8H7NO3/c10-5-1-2-6-7(3-5)12-4-8(11)9-6/h1-3,10H,4H2,(H,9,11)
InChIKeyGAHMCUIGTHMIFD-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.72
Rot. Bonds

About 7-hydroxy-4H-1,4-benzoxazin-3-one

7-hydroxy-4H-1,4-benzoxazin-3-one (PubChem CID 10057870) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 7-hydroxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-hydroxy-4H-1,4-benzoxazin-3-one
PubChem CID10057870
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name7-hydroxy-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(O)ccc2N1
InChIInChI=1S/C8H7NO3/c10-5-1-2-6-7(3-5)12-4-8(11)9-6/h1-3,10H,4H2,(H,9,11)
InChIKeyGAHMCUIGTHMIFD-UHFFFAOYSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-hydroxy-4H-1,4-benzoxazin-3-one (CID 10057870) is 7-hydroxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-hydroxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-hydroxy-4H-1,4-benzoxazin-3-one is O=C1COc2cc(O)ccc2N1.
What is the InChIKey of 7-hydroxy-4H-1,4-benzoxazin-3-one?
The InChIKey is GAHMCUIGTHMIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c10-5-1-2-6-7(3-5)12-4-8(11)9-6/h1-3,10H,4H2,(H,9,11).
What are the key properties of 7-hydroxy-4H-1,4-benzoxazin-3-one?
7-hydroxy-4H-1,4-benzoxazin-3-one has a molecular weight of 165.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10057870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).