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

C15H11NO3Se — CID 162652693

IUPAC2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
SMILESCOc1cccc(C(=O)n2[se]c3ccccc3c2=O)c1
InChIInChI=1S/C15H11NO3Se/c1-19-11-6-4-5-10(9-11)14(17)16-15(18)12-7-2-3-8-13(12)20-16/h2-9H,1H3
InChIKeyBWPGCIYPLUBMJJ-UHFFFAOYSA-N
MW332.22 g/mol
LogP1.76
Rot. Bonds2

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

2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one (PubChem CID 162652693) has the molecular formula C15H11NO3Se and a molecular weight of 332.22 g/mol. Its IUPAC name is 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
PubChem CID162652693
Molecular FormulaC15H11NO3Se
Molecular Weight332.22 g/mol
Exact Mass332.99
IUPAC Name2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one
SMILESCOc1cccc(C(=O)n2[se]c3ccccc3c2=O)c1
InChIInChI=1S/C15H11NO3Se/c1-19-11-6-4-5-10(9-11)14(17)16-15(18)12-7-2-3-8-13(12)20-16/h2-9H,1H3
InChIKeyBWPGCIYPLUBMJJ-UHFFFAOYSA-N
XLogP1.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 51.76
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

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(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
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2-(3-methoxybenzoyl)-1,1-dioxo-1,2-benzothiazol-3-one
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3-(3-methoxybenzoyl)-1,3-benzoxazol-2-one
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1-(3-methoxybenzoyl)imidazolidin-2-one
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[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
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sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one (CID 162652693) is 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one is COc1cccc(C(=O)n2[se]c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one?
The InChIKey is BWPGCIYPLUBMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3Se/c1-19-11-6-4-5-10(9-11)14(17)16-15(18)12-7-2-3-8-13(12)20-16/h2-9H,1H3.
What are the key properties of 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one?
2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one has a molecular weight of 332.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybenzoyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 162652693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).