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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Related Compounds

6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
N-[4-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17172091
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780
2-(4-bromophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359646
6-[hydroxy(oxido)amino]-2-(3-methylphenyl)-3,1-benzoxazin-4-one
CID 21143358
6-bromo-2-(2-fluorophenyl)-3,1-benzoxazin-4-one
CID 132786054
2-(3-bromophenyl)-4-methoxy-5-methyl-1,3-oxazin-6-one
CID 4246453
2-[4-(6,7-dihydroxy-4-oxo-3,1-benzoxazin-2-yl)phenyl]-6,7-dihydroxy-3,1-benzoxazin-4-one
CID 143956163
5-(6-bromo-4-oxo-3,1-benzoxazin-2-yl)-2-ethylisoindole-1,3-dione
CID 4243875
2-[3-(chloromethyl)phenyl]-6-methyl-3,1-benzoxazin-4-one
CID 2795385
2-[6-(6-carboxy-4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-4-oxo-3,1-benzoxazine-6-carboxylic acid
CID 18432266

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).