Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate

C17H14OSe — CID 11313001

IUPACSe-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate
SMILESC=Cc1ccccc1/C=C/C(=O)[Se]c1ccccc1
InChIInChI=1S/C17H14OSe/c1-2-14-8-6-7-9-15(14)12-13-17(18)19-16-10-4-3-5-11-16/h2-13H,1H2/b13-12+
InChIKeyBUEBHRIIUTXCDQ-OUKQBFOZSA-N
MW313.26 g/mol
LogP2.90
Rot. Bonds5

About Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate

Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate (PubChem CID 11313001) has the molecular formula C17H14OSe and a molecular weight of 313.26 g/mol. Its IUPAC name is Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate.

Molecular Properties

Compound NameSe-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate
PubChem CID11313001
Molecular FormulaC17H14OSe
Molecular Weight313.26 g/mol
Exact Mass314.02
IUPAC NameSe-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate
SMILESC=Cc1ccccc1/C=C/C(=O)[Se]c1ccccc1
InChIInChI=1S/C17H14OSe/c1-2-14-8-6-7-9-15(14)12-13-17(18)19-16-10-4-3-5-11-16/h2-13H,1H2/b13-12+
InChIKeyBUEBHRIIUTXCDQ-OUKQBFOZSA-N
XLogP2.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate 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

3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
Se-phenyl 3-methylbut-2-eneselenoate
CID 12725292
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
CID 159564409
CID 159564409
3-(2-ethenylphenyl)prop-2-en-1-ol
CID 169452931
2-ethenylbenzoic acid;europium
CID 174925184
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321
1,2-bis(ethenyl)benzene;2-fluoroprop-2-enoic acid;octa-1,7-diene
CID 67398540
disodium;3-[2-(2-carboxylatoethenyl)phenyl]prop-2-enoate
CID 163359031

Frequently Asked Questions

What is the IUPAC name of Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate?
The IUPAC name of Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate (CID 11313001) is Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate.
What is the SMILES notation for Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate?
The canonical SMILES for Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate is C=Cc1ccccc1/C=C/C(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate?
The InChIKey is BUEBHRIIUTXCDQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H14OSe/c1-2-14-8-6-7-9-15(14)12-13-17(18)19-16-10-4-3-5-11-16/h2-13H,1H2/b13-12+.
What are the key properties of Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate?
Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate has a molecular weight of 313.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl (E)-3-(2-ethenylphenyl)prop-2-eneselenoate is sourced from PubChem (CID 11313001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).