ethyl dibenzoselenophene-1-carboxylate

C15H12O2Se — CID 86218892

IUPACethyl dibenzoselenophene-1-carboxylate
SMILESCCOC(=O)c1cccc2[se]c3ccccc3c12
InChIInChI=1S/C15H12O2Se/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3
InChIKeyXQIZCMDIBGFXHT-UHFFFAOYSA-N
MW303.22 g/mol
LogP3.23
Rot. Bonds2

About ethyl dibenzoselenophene-1-carboxylate

ethyl dibenzoselenophene-1-carboxylate (PubChem CID 86218892) has the molecular formula C15H12O2Se and a molecular weight of 303.22 g/mol. Its IUPAC name is ethyl dibenzoselenophene-1-carboxylate.

Molecular Properties

Compound Nameethyl dibenzoselenophene-1-carboxylate
PubChem CID86218892
Molecular FormulaC15H12O2Se
Molecular Weight303.22 g/mol
Exact Mass304.00
IUPAC Nameethyl dibenzoselenophene-1-carboxylate
SMILESCCOC(=O)c1cccc2[se]c3ccccc3c12
InChIInChI=1S/C15H12O2Se/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3
InChIKeyXQIZCMDIBGFXHT-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl dibenzoselenophene-1-carboxylate 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

ethyl dibenzofuran-1-carboxylate
CID 11858911
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl 10-chloro-9-oxothioxanthen-10-ium-1-carboxylate
CID 172862252
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
dibenzoselenophen-1-amine
CID 164938107
ethyl 2-(2-bromoprop-2-enyl)benzoate
CID 24721796
ethyl 2-pyren-1-ylbenzoate
CID 58219965
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507

Frequently Asked Questions

What is the IUPAC name of ethyl dibenzoselenophene-1-carboxylate?
The IUPAC name of ethyl dibenzoselenophene-1-carboxylate (CID 86218892) is ethyl dibenzoselenophene-1-carboxylate.
What is the SMILES notation for ethyl dibenzoselenophene-1-carboxylate?
The canonical SMILES for ethyl dibenzoselenophene-1-carboxylate is CCOC(=O)c1cccc2[se]c3ccccc3c12.
What is the InChIKey of ethyl dibenzoselenophene-1-carboxylate?
The InChIKey is XQIZCMDIBGFXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2Se/c1-2-17-15(16)11-7-5-9-13-14(11)10-6-3-4-8-12(10)18-13/h3-9H,2H2,1H3.
What are the key properties of ethyl dibenzoselenophene-1-carboxylate?
ethyl dibenzoselenophene-1-carboxylate has a molecular weight of 303.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dibenzoselenophene-1-carboxylate is sourced from PubChem (CID 86218892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).