2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one

C14H11NO2Se — CID 3067568

IUPAC2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccc(-n2[se]c3ccccc3c2=O)cc1
InChIInChI=1S/C14H11NO2Se/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyUFNLROFKXBUCTG-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.06
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one

2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one (PubChem CID 3067568) has the molecular formula C14H11NO2Se and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one
PubChem CID3067568
Molecular FormulaC14H11NO2Se
Molecular Weight304.21 g/mol
Exact Mass305.00
IUPAC Name2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one
SMILESCOc1ccc(-n2[se]c3ccccc3c2=O)cc1
InChIInChI=1S/C14H11NO2Se/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3
InChIKeyUFNLROFKXBUCTG-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 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one (CID 3067568) is 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one is COc1ccc(-n2[se]c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one?
The InChIKey is UFNLROFKXBUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2Se/c1-17-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)18-15/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,2-benzoselenazol-3-one?
2-(4-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-(4-methoxyphenyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 3067568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).