2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one

C16H8BrNO3 — CID 9323110

IUPAC2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cc3ccccc3o2)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrNO3/c17-10-5-6-12-11(8-10)16(19)21-15(18-12)14-7-9-3-1-2-4-13(9)20-14/h1-8H
InChIKeyYMWYXASSYJQVRJ-UHFFFAOYSA-N
MW342.15 g/mol
LogP4.36
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one

2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one (PubChem CID 9323110) has the molecular formula C16H8BrNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one
PubChem CID9323110
Molecular FormulaC16H8BrNO3
Molecular Weight342.15 g/mol
Exact Mass340.97
IUPAC Name2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cc3ccccc3o2)nc2ccc(Br)cc12
InChIInChI=1S/C16H8BrNO3/c17-10-5-6-12-11(8-10)16(19)21-15(18-12)14-7-9-3-1-2-4-13(9)20-14/h1-8H
InChIKeyYMWYXASSYJQVRJ-UHFFFAOYSA-N
XLogP4.36
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
6-bromo-2-(2-ethoxyphenyl)-3,1-benzoxazin-4-one
CID 1253920
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
CID 2878832
N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17172091
2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
CID 2228925
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-ethylisoindole-1,3-dione
CID 4243875
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
2-(2-bromophenyl)-6-[[2-(2-bromophenyl)-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one
CID 4214551
2-(4-bromophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 21082436

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one (CID 9323110) is 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one is O=c1oc(-c2cc3ccccc3o2)nc2ccc(Br)cc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one?
The InChIKey is YMWYXASSYJQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrNO3/c17-10-5-6-12-11(8-10)16(19)21-15(18-12)14-7-9-3-1-2-4-13(9)20-14/h1-8H.
What are the key properties of 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one?
2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one has a molecular weight of 342.15 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-bromo-3,1-benzoxazin-4-one is sourced from PubChem (CID 9323110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).