3-(4-bromophenyl)-4H-1,4-benzoxazine

C14H10BrNO — CID 146597597

IUPAC3-(4-bromophenyl)-4H-1,4-benzoxazine
SMILESBrc1ccc(C2=COc3ccccc3N2)cc1
InChIInChI=1S/C14H10BrNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H
InChIKeyZYEDYCWLNGENGK-UHFFFAOYSA-N
MW288.14 g/mol
LogP4.25
Rot. Bonds1

About 3-(4-bromophenyl)-4H-1,4-benzoxazine

3-(4-bromophenyl)-4H-1,4-benzoxazine (PubChem CID 146597597) has the molecular formula C14H10BrNO and a molecular weight of 288.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-4H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-4H-1,4-benzoxazine
PubChem CID146597597
Molecular FormulaC14H10BrNO
Molecular Weight288.14 g/mol
Exact Mass286.99
IUPAC Name3-(4-bromophenyl)-4H-1,4-benzoxazine
SMILESBrc1ccc(C2=COc3ccccc3N2)cc1
InChIInChI=1S/C14H10BrNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H
InChIKeyZYEDYCWLNGENGK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-4H-1,4-benzoxazine?
The IUPAC name of 3-(4-bromophenyl)-4H-1,4-benzoxazine (CID 146597597) is 3-(4-bromophenyl)-4H-1,4-benzoxazine.
What is the SMILES notation for 3-(4-bromophenyl)-4H-1,4-benzoxazine?
The canonical SMILES for 3-(4-bromophenyl)-4H-1,4-benzoxazine is Brc1ccc(C2=COc3ccccc3N2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-4H-1,4-benzoxazine?
The InChIKey is ZYEDYCWLNGENGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO/c15-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)16-13/h1-9,16H.
What are the key properties of 3-(4-bromophenyl)-4H-1,4-benzoxazine?
3-(4-bromophenyl)-4H-1,4-benzoxazine has a molecular weight of 288.14 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-4H-1,4-benzoxazine is sourced from PubChem (CID 146597597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).