2-(3-methylphenyl)-3,1-benzoxazin-4-one

C15H11NO2 — CID 708712

IUPAC2-(3-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C15H11NO2/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(17)18-14/h2-9H,1H3
InChIKeyQLLAOEHPWSMBGB-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.16
Rot. Bonds1

About 2-(3-methylphenyl)-3,1-benzoxazin-4-one

2-(3-methylphenyl)-3,1-benzoxazin-4-one (PubChem CID 708712) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3,1-benzoxazin-4-one
PubChem CID708712
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-(3-methylphenyl)-3,1-benzoxazin-4-one
SMILESCc1cccc(-c2nc3ccccc3c(=O)o2)c1
InChIInChI=1S/C15H11NO2/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(17)18-14/h2-9H,1H3
InChIKeyQLLAOEHPWSMBGB-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 2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3,1-benzoxazin-4-one (CID 708712) is 2-(3-methylphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3,1-benzoxazin-4-one is Cc1cccc(-c2nc3ccccc3c(=O)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3,1-benzoxazin-4-one?
The InChIKey is QLLAOEHPWSMBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-10-5-4-6-11(9-10)14-16-13-8-3-2-7-12(13)15(17)18-14/h2-9H,1H3.
What are the key properties of 2-(3-methylphenyl)-3,1-benzoxazin-4-one?
2-(3-methylphenyl)-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 2-(3-methylphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 708712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).