2-(4-phenylphenyl)-1,3-benzoxazin-4-one

C20H13NO2 — CID 22887878

IUPAC2-(4-phenylphenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccc(-c3ccccc3)cc2)oc2ccccc12
InChIInChI=1S/C20H13NO2/c22-19-17-8-4-5-9-18(17)23-20(21-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyXPJSQZCTFOPUEB-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.52
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-benzoxazin-4-one

2-(4-phenylphenyl)-1,3-benzoxazin-4-one (PubChem CID 22887878) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-benzoxazin-4-one
PubChem CID22887878
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-(4-phenylphenyl)-1,3-benzoxazin-4-one
SMILESO=c1nc(-c2ccc(-c3ccccc3)cc2)oc2ccccc12
InChIInChI=1S/C20H13NO2/c22-19-17-8-4-5-9-18(17)23-20(21-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyXPJSQZCTFOPUEB-UHFFFAOYSA-N
XLogP4.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazin-4-one?
The IUPAC name of 2-(4-phenylphenyl)-1,3-benzoxazin-4-one (CID 22887878) is 2-(4-phenylphenyl)-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-benzoxazin-4-one?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-benzoxazin-4-one is O=c1nc(-c2ccc(-c3ccccc3)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-benzoxazin-4-one?
The InChIKey is XPJSQZCTFOPUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-17-8-4-5-9-18(17)23-20(21-19)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(4-phenylphenyl)-1,3-benzoxazin-4-one?
2-(4-phenylphenyl)-1,3-benzoxazin-4-one has a molecular weight of 299.33 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1,3-benzoxazin-4-one is sourced from PubChem (CID 22887878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).