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

C15H13NO3 — CID 56695228

IUPAC1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
SMILESCN1OC(O)(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C15H13NO3/c1-16-14(17)12-9-5-6-10-13(12)15(18,19-16)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyPSLHZXFRHZWBEP-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.90
Rot. Bonds1

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

1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one (PubChem CID 56695228) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
PubChem CID56695228
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
SMILESCN1OC(O)(c2ccccc2)c2ccccc2C1=O
InChIInChI=1S/C15H13NO3/c1-16-14(17)12-9-5-6-10-13(12)15(18,19-16)11-7-3-2-4-8-11/h2-10,18H,1H3
InChIKeyPSLHZXFRHZWBEP-UHFFFAOYSA-N
XLogP1.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one?
The IUPAC name of 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one (CID 56695228) is 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one.
What is the SMILES notation for 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one?
The canonical SMILES for 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one is CN1OC(O)(c2ccccc2)c2ccccc2C1=O.
What is the InChIKey of 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one?
The InChIKey is PSLHZXFRHZWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-16-14(17)12-9-5-6-10-13(12)15(18,19-16)11-7-3-2-4-8-11/h2-10,18H,1H3.
What are the key properties of 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one?
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one has a molecular weight of 255.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one is sourced from PubChem (CID 56695228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).