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

C14H11NO2Se — CID 88621311

IUPAC2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccccc1-n1[se]c2ccccc2c1=O
InChIInChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3
InChIKeyKKKQSDGDCNBMFN-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.06
Rot. Bonds2

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

2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one (PubChem CID 88621311) has the molecular formula C14H11NO2Se and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one
PubChem CID88621311
Molecular FormulaC14H11NO2Se
Molecular Weight304.21 g/mol
Exact Mass305.00
IUPAC Name2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccccc1-n1[se]c2ccccc2c1=O
InChIInChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3
InChIKeyKKKQSDGDCNBMFN-UHFFFAOYSA-N
XLogP2.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 166631306
2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621180
2-(2,5-dimethylphenyl)-1,2-benzoselenazol-3-one
CID 25181203
4-methoxy-2-phenyl-1,2-benzoselenazol-3-one
CID 88621478
6-methoxy-2-quinolin-8-yl-1,2-benzoselenazol-3-one
CID 122204055
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-[(2,4-dimethoxyphenyl)methyl]-1,2-benzoselenazol-3-one
CID 166635160
3-(2-methoxyphenyl)quinazolin-4-one
CID 823516
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
2-(2-methoxyphenyl)-4,5-dimethyl-1H-pyrazol-3-one
CID 66023365

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one (CID 88621311) is 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one is COc1ccccc1-n1[se]c2ccccc2c1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is KKKQSDGDCNBMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2Se/c1-17-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)18-15/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one?
2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one has a molecular weight of 304.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88621311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).