3-(4-methylphenyl)-2H-1,4-benzoxazine

C15H13NO — CID 58466109

IUPAC3-(4-methylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc(C2=Nc3ccccc3OC2)cc1
InChIInChI=1S/C15H13NO/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChIKeyJLCKPIGODWGYAB-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.51
Rot. Bonds1

About 3-(4-methylphenyl)-2H-1,4-benzoxazine

3-(4-methylphenyl)-2H-1,4-benzoxazine (PubChem CID 58466109) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2H-1,4-benzoxazine
PubChem CID58466109
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-(4-methylphenyl)-2H-1,4-benzoxazine
SMILESCc1ccc(C2=Nc3ccccc3OC2)cc1
InChIInChI=1S/C15H13NO/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3
InChIKeyJLCKPIGODWGYAB-UHFFFAOYSA-N
XLogP3.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzoxazine?
The IUPAC name of 3-(4-methylphenyl)-2H-1,4-benzoxazine (CID 58466109) is 3-(4-methylphenyl)-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-methylphenyl)-2H-1,4-benzoxazine?
The canonical SMILES for 3-(4-methylphenyl)-2H-1,4-benzoxazine is Cc1ccc(C2=Nc3ccccc3OC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2H-1,4-benzoxazine?
The InChIKey is JLCKPIGODWGYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-6-8-12(9-7-11)14-10-17-15-5-3-2-4-13(15)16-14/h2-9H,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2H-1,4-benzoxazine?
3-(4-methylphenyl)-2H-1,4-benzoxazine has a molecular weight of 223.28 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2H-1,4-benzoxazine is sourced from PubChem (CID 58466109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).