2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one

C14H8BrNO3 — CID 2228925

IUPAC2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccc(Br)c2)nc2ccc(O)cc12
InChIInChI=1S/C14H8BrNO3/c15-9-3-1-2-8(6-9)13-16-12-5-4-10(17)7-11(12)14(18)19-13/h1-7,17H
InChIKeyONQKOHBOMDJFMW-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.32
Rot. Bonds1

About 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one

2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one (PubChem CID 2228925) has the molecular formula C14H8BrNO3 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
PubChem CID2228925
Molecular FormulaC14H8BrNO3
Molecular Weight318.13 g/mol
Exact Mass316.97
IUPAC Name2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one
SMILESO=c1oc(-c2cccc(Br)c2)nc2ccc(O)cc12
InChIInChI=1S/C14H8BrNO3/c15-9-3-1-2-8(6-9)13-16-12-5-4-10(17)7-11(12)14(18)19-13/h1-7,17H
InChIKeyONQKOHBOMDJFMW-UHFFFAOYSA-N
XLogP3.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one (CID 2228925) is 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one is O=c1oc(-c2cccc(Br)c2)nc2ccc(O)cc12.
What is the InChIKey of 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one?
The InChIKey is ONQKOHBOMDJFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO3/c15-9-3-1-2-8(6-9)13-16-12-5-4-10(17)7-11(12)14(18)19-13/h1-7,17H.
What are the key properties of 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one?
2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one has a molecular weight of 318.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-hydroxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 2228925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).