(3-acetyl-1-benzoselenophen-2-yl) acetate

C12H10O3Se — CID 71388688

IUPAC(3-acetyl-1-benzoselenophen-2-yl) acetate
SMILESCC(=O)Oc1[se]c2ccccc2c1C(C)=O
InChIInChI=1S/C12H10O3Se/c1-7(13)11-9-5-3-4-6-10(9)16-12(11)15-8(2)14/h3-6H,1-2H3
InChIKeyYUVMLMFFJZSXDI-UHFFFAOYSA-N
MW281.17 g/mol
LogP2.02
Rot. Bonds2

About (3-acetyl-1-benzoselenophen-2-yl) acetate

(3-acetyl-1-benzoselenophen-2-yl) acetate (PubChem CID 71388688) has the molecular formula C12H10O3Se and a molecular weight of 281.17 g/mol. Its IUPAC name is (3-acetyl-1-benzoselenophen-2-yl) acetate.

Molecular Properties

Compound Name(3-acetyl-1-benzoselenophen-2-yl) acetate
PubChem CID71388688
Molecular FormulaC12H10O3Se
Molecular Weight281.17 g/mol
Exact Mass281.98
IUPAC Name(3-acetyl-1-benzoselenophen-2-yl) acetate
SMILESCC(=O)Oc1[se]c2ccccc2c1C(C)=O
InChIInChI=1S/C12H10O3Se/c1-7(13)11-9-5-3-4-6-10(9)16-12(11)15-8(2)14/h3-6H,1-2H3
InChIKeyYUVMLMFFJZSXDI-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-acetyl-1-benzoselenophen-2-yl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-acetyl-1-benzoselenophen-2-yl) acetate?
The IUPAC name of (3-acetyl-1-benzoselenophen-2-yl) acetate (CID 71388688) is (3-acetyl-1-benzoselenophen-2-yl) acetate.
What is the SMILES notation for (3-acetyl-1-benzoselenophen-2-yl) acetate?
The canonical SMILES for (3-acetyl-1-benzoselenophen-2-yl) acetate is CC(=O)Oc1[se]c2ccccc2c1C(C)=O.
What is the InChIKey of (3-acetyl-1-benzoselenophen-2-yl) acetate?
The InChIKey is YUVMLMFFJZSXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3Se/c1-7(13)11-9-5-3-4-6-10(9)16-12(11)15-8(2)14/h3-6H,1-2H3.
What are the key properties of (3-acetyl-1-benzoselenophen-2-yl) acetate?
(3-acetyl-1-benzoselenophen-2-yl) acetate has a molecular weight of 281.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyl-1-benzoselenophen-2-yl) acetate is sourced from PubChem (CID 71388688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).