2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one

C15H13NO3Se — CID 88621180

IUPAC2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1cc(OC)cc(-n2[se]c3ccccc3c2=O)c1
InChIInChI=1S/C15H13NO3Se/c1-18-11-7-10(8-12(9-11)19-2)16-15(17)13-5-3-4-6-14(13)20-16/h3-9H,1-2H3
InChIKeyZFCMGPXMKHBZQD-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.06
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one

2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one (PubChem CID 88621180) has the molecular formula C15H13NO3Se and a molecular weight of 334.23 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
PubChem CID88621180
Molecular FormulaC15H13NO3Se
Molecular Weight334.23 g/mol
Exact Mass335.01
IUPAC Name2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1cc(OC)cc(-n2[se]c3ccccc3c2=O)c1
InChIInChI=1S/C15H13NO3Se/c1-18-11-7-10(8-12(9-11)19-2)16-15(17)13-5-3-4-6-14(13)20-16/h3-9H,1-2H3
InChIKeyZFCMGPXMKHBZQD-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621311
2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 166631306
2-(4-deuteriophenyl)-1,2-benzoselenazol-3-one
CID 53238068
2-[4-[[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]diselanyl]phenyl]-1,2-benzoselenazol-3-one
CID 118736430
2-(2,3,4,5,6-pentadeuteriophenyl)-1,2-benzoselenazol-3-one
CID 53238069
2-[3-(aminomethyl)phenyl]-1,2-benzoselenazol-3-one
CID 175155762
2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
CID 162652693
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one
CID 25181203
2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
CID 166634575
2-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160
4-methoxy-2-phenyl-1,2-benzoselenazol-3-one
CID 88621478
2-(2,4-difluorophenyl)-1,2-benzoselenazol-3-one
CID 166630257

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one (CID 88621180) is 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one is COc1cc(OC)cc(-n2[se]c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is ZFCMGPXMKHBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3Se/c1-18-11-7-10(8-12(9-11)19-2)16-15(17)13-5-3-4-6-14(13)20-16/h3-9H,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one?
2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one has a molecular weight of 334.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88621180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).