8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one

C16H15NO2 — CID 69261563

IUPAC8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cccc2c1OC(c1ccccc1)C(=O)N2
InChIInChI=1S/C16H15NO2/c1-2-11-9-6-10-13-14(11)19-15(16(18)17-13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3,(H,17,18)
InChIKeyMYZVROKSRGMGIC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.32
Rot. Bonds2

About 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one

8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one (PubChem CID 69261563) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one
PubChem CID69261563
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cccc2c1OC(c1ccccc1)C(=O)N2
InChIInChI=1S/C16H15NO2/c1-2-11-9-6-10-13-14(11)19-15(16(18)17-13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3,(H,17,18)
InChIKeyMYZVROKSRGMGIC-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one (CID 69261563) is 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one is CCc1cccc2c1OC(c1ccccc1)C(=O)N2.
What is the InChIKey of 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one?
The InChIKey is MYZVROKSRGMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-9-6-10-13-14(11)19-15(16(18)17-13)12-7-4-3-5-8-12/h3-10,15H,2H2,1H3,(H,17,18).
What are the key properties of 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one?
8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-phenyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 69261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).