2-methyl-4-phenyl-1,4-benzoxazine

C15H13NO — CID 148646121

IUPAC2-methyl-4-phenyl-1,4-benzoxazine
SMILESCC1=CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H13NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-11H,1H3
InChIKeyNKZDZBUIEPNBTP-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.08
Rot. Bonds1

About 2-methyl-4-phenyl-1,4-benzoxazine

2-methyl-4-phenyl-1,4-benzoxazine (PubChem CID 148646121) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,4-benzoxazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,4-benzoxazine
PubChem CID148646121
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-methyl-4-phenyl-1,4-benzoxazine
SMILESCC1=CN(c2ccccc2)c2ccccc2O1
InChIInChI=1S/C15H13NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-11H,1H3
InChIKeyNKZDZBUIEPNBTP-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,4-benzoxazine?
The IUPAC name of 2-methyl-4-phenyl-1,4-benzoxazine (CID 148646121) is 2-methyl-4-phenyl-1,4-benzoxazine.
What is the SMILES notation for 2-methyl-4-phenyl-1,4-benzoxazine?
The canonical SMILES for 2-methyl-4-phenyl-1,4-benzoxazine is CC1=CN(c2ccccc2)c2ccccc2O1.
What is the InChIKey of 2-methyl-4-phenyl-1,4-benzoxazine?
The InChIKey is NKZDZBUIEPNBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-12-11-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-11H,1H3.
What are the key properties of 2-methyl-4-phenyl-1,4-benzoxazine?
2-methyl-4-phenyl-1,4-benzoxazine has a molecular weight of 223.28 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,4-benzoxazine is sourced from PubChem (CID 148646121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).