2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine

C16H12BrNO2 — CID 81495338

IUPAC2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1cccc2c1OC(c1cc3ccccc3o1)CN2
InChIInChI=1S/C16H12BrNO2/c17-11-5-3-6-12-16(11)20-15(9-18-12)14-8-10-4-1-2-7-13(10)19-14/h1-8,15,18H,9H2
InChIKeyZIZGVVYFBCVZOJ-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.74
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine

2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 81495338) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID81495338
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1cccc2c1OC(c1cc3ccccc3o1)CN2
InChIInChI=1S/C16H12BrNO2/c17-11-5-3-6-12-16(11)20-15(9-18-12)14-8-10-4-1-2-7-13(10)19-14/h1-8,15,18H,9H2
InChIKeyZIZGVVYFBCVZOJ-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine (CID 81495338) is 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine is Brc1cccc2c1OC(c1cc3ccccc3o1)CN2.
What is the InChIKey of 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ZIZGVVYFBCVZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-11-5-3-6-12-16(11)20-15(9-18-12)14-8-10-4-1-2-7-13(10)19-14/h1-8,15,18H,9H2.
What are the key properties of 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine?
2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 330.18 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-8-bromo-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 81495338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).