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

C14H11NO — CID 67469621

IUPAC3-phenyl-2H-1,2-benzoxazine
SMILESC1=C(c2ccccc2)NOc2ccccc21
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-14(12)16-15-13/h1-10,15H
InChIKeyOMBQZWLKGMHYJS-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.08
Rot. Bonds1

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

3-phenyl-2H-1,2-benzoxazine (PubChem CID 67469621) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-phenyl-2H-1,2-benzoxazine.

Molecular Properties

Compound Name3-phenyl-2H-1,2-benzoxazine
PubChem CID67469621
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-phenyl-2H-1,2-benzoxazine
SMILESC1=C(c2ccccc2)NOc2ccccc21
InChIInChI=1S/C14H11NO/c1-2-6-11(7-3-1)13-10-12-8-4-5-9-14(12)16-15-13/h1-10,15H
InChIKeyOMBQZWLKGMHYJS-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenoxybenzylamine
CID 12617696
Aminobenzoxazine
CID 22177461
Methylbenzoxazine
CID 22266726
Dibenzoxazine
CID 22639574
Allyl benzoxazine
CID 67120017
Bisphenylbenzoxazine
CID 67246917
Diamino benzoxazine
CID 70479204
Vinylbenzoxazine
CID 129786735
Naphthylbenzoxazine
CID 129800569
Bis-allyl benzoxazine
CID 129833731
3-Phenyl-3,4-dihydro-2h-benzoxazine
CID 129833831
Propargyl benzoxazine
CID 129851438

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-1,2-benzoxazine?
The IUPAC name of 3-phenyl-2H-1,2-benzoxazine (CID 67469621) is 3-phenyl-2H-1,2-benzoxazine.
What is the SMILES notation for 3-phenyl-2H-1,2-benzoxazine?
The canonical SMILES for 3-phenyl-2H-1,2-benzoxazine is C1=C(c2ccccc2)NOc2ccccc21.
What is the InChIKey of 3-phenyl-2H-1,2-benzoxazine?
The InChIKey is OMBQZWLKGMHYJS-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/h1-10,15H.
What are the key properties of 3-phenyl-2H-1,2-benzoxazine?
3-phenyl-2H-1,2-benzoxazine has a molecular weight of 209.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-1,2-benzoxazine is sourced from PubChem (CID 67469621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).