3-phenyl-4H-1,2-benzoxazine

C14H11NO — CID 14668689

IUPAC3-phenyl-4H-1,2-benzoxazine
SMILESc1ccc(C2=NOc3ccccc3C2)cc1
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-14(12)16-15-13/h1-9H,10H2
InChIKeyZKJAVIFYIKPQLC-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.03
Rot. Bonds1

About 3-phenyl-4H-1,2-benzoxazine

3-phenyl-4H-1,2-benzoxazine (PubChem CID 14668689) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-phenyl-4H-1,2-benzoxazine.

Molecular Properties

Compound Name3-phenyl-4H-1,2-benzoxazine
PubChem CID14668689
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-phenyl-4H-1,2-benzoxazine
SMILESc1ccc(C2=NOc3ccccc3C2)cc1
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-14(12)16-15-13/h1-9H,10H2
InChIKeyZKJAVIFYIKPQLC-UHFFFAOYSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-1,2-benzoxazine?
The IUPAC name of 3-phenyl-4H-1,2-benzoxazine (CID 14668689) is 3-phenyl-4H-1,2-benzoxazine.
What is the SMILES notation for 3-phenyl-4H-1,2-benzoxazine?
The canonical SMILES for 3-phenyl-4H-1,2-benzoxazine is c1ccc(C2=NOc3ccccc3C2)cc1.
What is the InChIKey of 3-phenyl-4H-1,2-benzoxazine?
The InChIKey is ZKJAVIFYIKPQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-14(12)16-15-13/h1-9H,10H2.
What are the key properties of 3-phenyl-4H-1,2-benzoxazine?
3-phenyl-4H-1,2-benzoxazine has a molecular weight of 209.25 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-1,2-benzoxazine is sourced from PubChem (CID 14668689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).