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

C16H15NO — CID 57333469

IUPAC6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCc1ccc(C2=Nc3ccc(C)cc3CO2)cc1
InChIInChI=1S/C16H15NO/c1-11-3-6-13(7-4-11)16-17-15-8-5-12(2)9-14(15)10-18-16/h3-9H,10H2,1-2H3
InChIKeyIZQASMITBQUQAR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.91
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine

6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (PubChem CID 57333469) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
PubChem CID57333469
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine
SMILESCc1ccc(C2=Nc3ccc(C)cc3CO2)cc1
InChIInChI=1S/C16H15NO/c1-11-3-6-13(7-4-11)16-17-15-8-5-12(2)9-14(15)10-18-16/h3-9H,10H2,1-2H3
InChIKeyIZQASMITBQUQAR-UHFFFAOYSA-N
XLogP3.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine (CID 57333469) is 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is Cc1ccc(C2=Nc3ccc(C)cc3CO2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
The InChIKey is IZQASMITBQUQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-3-6-13(7-4-11)16-17-15-8-5-12(2)9-14(15)10-18-16/h3-9H,10H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine?
6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine has a molecular weight of 237.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 57333469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).