4-methoxy-2-phenyl-1,2-benzoselenazol-3-one

C14H11NO2Se — CID 88621478

IUPAC4-methoxy-2-phenyl-1,2-benzoselenazol-3-one
SMILESCOc1cccc2[se]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H11NO2Se/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyQKRFBEWXOVUOPC-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.06
Rot. Bonds2

About 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one

4-methoxy-2-phenyl-1,2-benzoselenazol-3-one (PubChem CID 88621478) has the molecular formula C14H11NO2Se and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name4-methoxy-2-phenyl-1,2-benzoselenazol-3-one
PubChem CID88621478
Molecular FormulaC14H11NO2Se
Molecular Weight304.21 g/mol
Exact Mass305.00
IUPAC Name4-methoxy-2-phenyl-1,2-benzoselenazol-3-one
SMILESCOc1cccc2[se]n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C14H11NO2Se/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyQKRFBEWXOVUOPC-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'}

Analyze 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-methoxy-1,2-benzoselenazol-3-one
CID 88661011
2-phenyl-1,2-benzoselenazol-3-one
CID 3194
2-(2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621311
2-(3,5-dimethoxyphenyl)-1,2-benzoselenazol-3-one
CID 88621180
2-(5-fluoro-2-methoxyphenyl)-1,2-benzoselenazol-3-one
CID 166631306
1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
2-(4-deuteriophenyl)-1,2-benzoselenazol-3-one
CID 53238068
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 46397836
2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
CID 102338690
2-(4-benzoylphenyl)-1,2-benzoselenazol-3-one
CID 166634575
4-methoxy-1-phenyl-3H-indol-2-one
CID 12777165

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one?
The IUPAC name of 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one (CID 88621478) is 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one?
The canonical SMILES for 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one is COc1cccc2[se]n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one?
The InChIKey is QKRFBEWXOVUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2Se/c1-17-11-8-5-9-12-13(11)14(16)15(18-12)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one?
4-methoxy-2-phenyl-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 4-methoxy-2-phenyl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 88621478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).