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'}

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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).