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

C14H9NO2 — CID 13926

IUPAC2-phenyl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKeyHTTLBYITFHMYFK-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.86
Rot. Bonds1

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

2-phenyl-3,1-benzoxazin-4-one (PubChem CID 13926) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-phenyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-phenyl-3,1-benzoxazin-4-one
PubChem CID13926
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-phenyl-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H
InChIKeyHTTLBYITFHMYFK-UHFFFAOYSA-N
XLogP2.86
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-phenyl-3,1-benzoxazin-4-one (CID 13926) is 2-phenyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-phenyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-phenyl-3,1-benzoxazin-4-one is O=c1oc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-3,1-benzoxazin-4-one?
The InChIKey is HTTLBYITFHMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-phenyl-3,1-benzoxazin-4-one?
2-phenyl-3,1-benzoxazin-4-one has a molecular weight of 223.23 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 13926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).