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

C16H10BrNO2 — CID 2878832

IUPAC6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(C=Cc2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO2/c17-12-7-8-14-13(10-12)16(19)20-15(18-14)9-6-11-4-2-1-3-5-11/h1-10H
InChIKeyFSHOMKHJBFDOMW-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.12
Rot. Bonds2

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

6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one (PubChem CID 2878832) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
PubChem CID2878832
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one
SMILESO=c1oc(C=Cc2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C16H10BrNO2/c17-12-7-8-14-13(10-12)16(19)20-15(18-14)9-6-11-4-2-1-3-5-11/h1-10H
InChIKeyFSHOMKHJBFDOMW-UHFFFAOYSA-N
XLogP4.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one (CID 2878832) is 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one is O=c1oc(C=Cc2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one?
The InChIKey is FSHOMKHJBFDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-12-7-8-14-13(10-12)16(19)20-15(18-14)9-6-11-4-2-1-3-5-11/h1-10H.
What are the key properties of 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one?
6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one has a molecular weight of 328.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-phenylethenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2878832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).