4-phenyl-4H-1,2-benzoxazin-3-one

C14H11NO2 — CID 67934215

IUPAC4-phenyl-4H-1,2-benzoxazin-3-one
SMILESO=C1NOc2ccccc2C1c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16)
InChIKeyQQQWLVDAETUFHS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.24
Rot. Bonds1

About 4-phenyl-4H-1,2-benzoxazin-3-one

4-phenyl-4H-1,2-benzoxazin-3-one (PubChem CID 67934215) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-phenyl-4H-1,2-benzoxazin-3-one.

Molecular Properties

Compound Name4-phenyl-4H-1,2-benzoxazin-3-one
PubChem CID67934215
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-phenyl-4H-1,2-benzoxazin-3-one
SMILESO=C1NOc2ccccc2C1c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16)
InChIKeyQQQWLVDAETUFHS-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-4H-1,2-benzoxazin-3-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 4-phenyl-4H-1,2-benzoxazin-3-one?
The IUPAC name of 4-phenyl-4H-1,2-benzoxazin-3-one (CID 67934215) is 4-phenyl-4H-1,2-benzoxazin-3-one.
What is the SMILES notation for 4-phenyl-4H-1,2-benzoxazin-3-one?
The canonical SMILES for 4-phenyl-4H-1,2-benzoxazin-3-one is O=C1NOc2ccccc2C1c1ccccc1.
What is the InChIKey of 4-phenyl-4H-1,2-benzoxazin-3-one?
The InChIKey is QQQWLVDAETUFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-15-14/h1-9,13H,(H,15,16).
What are the key properties of 4-phenyl-4H-1,2-benzoxazin-3-one?
4-phenyl-4H-1,2-benzoxazin-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4H-1,2-benzoxazin-3-one is sourced from PubChem (CID 67934215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).