6-methyl-2-phenyl-3,1-benzoxazin-4-one

C15H11NO2 — CID 784738

IUPAC6-methyl-2-phenyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccccc3)oc(=O)c2c1
InChIInChI=1S/C15H11NO2/c1-10-7-8-13-12(9-10)15(17)18-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXUKXDTOQDIGVOS-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.16
Rot. Bonds1

About 6-methyl-2-phenyl-3,1-benzoxazin-4-one

6-methyl-2-phenyl-3,1-benzoxazin-4-one (PubChem CID 784738) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3,1-benzoxazin-4-one
PubChem CID784738
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name6-methyl-2-phenyl-3,1-benzoxazin-4-one
SMILESCc1ccc2nc(-c3ccccc3)oc(=O)c2c1
InChIInChI=1S/C15H11NO2/c1-10-7-8-13-12(9-10)15(17)18-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyXUKXDTOQDIGVOS-UHFFFAOYSA-N
XLogP3.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3,1-benzoxazin-4-one?
The IUPAC name of 6-methyl-2-phenyl-3,1-benzoxazin-4-one (CID 784738) is 6-methyl-2-phenyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-3,1-benzoxazin-4-one?
The canonical SMILES for 6-methyl-2-phenyl-3,1-benzoxazin-4-one is Cc1ccc2nc(-c3ccccc3)oc(=O)c2c1.
What is the InChIKey of 6-methyl-2-phenyl-3,1-benzoxazin-4-one?
The InChIKey is XUKXDTOQDIGVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-7-8-13-12(9-10)15(17)18-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 6-methyl-2-phenyl-3,1-benzoxazin-4-one?
6-methyl-2-phenyl-3,1-benzoxazin-4-one has a molecular weight of 237.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 784738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).