2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one

C13H9NO2Se — CID 3067579

IUPAC2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1cccc(O)c1
InChIInChI=1S/C13H9NO2Se/c15-10-5-3-4-9(8-10)14-13(16)11-6-1-2-7-12(11)17-14/h1-8,15H
InChIKeyUVLJTNCCWYTHDP-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.75
Rot. Bonds1

About 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one

2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one (PubChem CID 3067579) has the molecular formula C13H9NO2Se and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one
PubChem CID3067579
Molecular FormulaC13H9NO2Se
Molecular Weight290.18 g/mol
Exact Mass290.98
IUPAC Name2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1cccc(O)c1
InChIInChI=1S/C13H9NO2Se/c15-10-5-3-4-9(8-10)14-13(16)11-6-1-2-7-12(11)17-14/h1-8,15H
InChIKeyUVLJTNCCWYTHDP-UHFFFAOYSA-N
XLogP1.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one (CID 3067579) is 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is UVLJTNCCWYTHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2Se/c15-10-5-3-4-9(8-10)14-13(16)11-6-1-2-7-12(11)17-14/h1-8,15H.
What are the key properties of 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one?
2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one has a molecular weight of 290.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 3067579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).