2-phenylselanylethene-1,1-diol

C8H8O2Se — CID 11790922

IUPAC2-phenylselanylethene-1,1-diol
SMILESOC(O)=C[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6,9-10H
InChIKeyCMKIJRQWWIOBBS-UHFFFAOYSA-N
MW215.11 g/mol
LogP0.93
Rot. Bonds2

About 2-phenylselanylethene-1,1-diol

2-phenylselanylethene-1,1-diol (PubChem CID 11790922) has the molecular formula C8H8O2Se and a molecular weight of 215.11 g/mol. Its IUPAC name is 2-phenylselanylethene-1,1-diol.

Molecular Properties

Compound Name2-phenylselanylethene-1,1-diol
PubChem CID11790922
Molecular FormulaC8H8O2Se
Molecular Weight215.11 g/mol
Exact Mass215.97
IUPAC Name2-phenylselanylethene-1,1-diol
SMILESOC(O)=C[Se]c1ccccc1
InChIInChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6,9-10H
InChIKeyCMKIJRQWWIOBBS-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-diphenylphosphoryl-2-phenylselanylethenyl]benzene
CID 25228506
trimethyl-[(E)-1-phenyl-2-phenylselanylethenoxy]silane
CID 11759796
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
(E)-3-phenylselanylprop-2-en-1-ol
CID 12609551
1-(2,2-diphenylethenylselanyl)-4-fluorobenzene
CID 150580942
4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
CID 71443728
3-phenylselanylprop-2-enamide
CID 73180686
1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
CID 102130202
[(E)-2-bromo-2-(cyclohexen-1-yl)ethenyl]selanylbenzene
CID 46832176
1-tert-butyl-4-[1-(4-chlorophenyl)-2-phenylselanylethenyl]benzene
CID 151338650
1-methyl-4-[(Z)-1-phenyl-2-phenylselanylethenyl]sulfonylbenzene
CID 134936070
3-phenylselanylprop-2-en-1-amine
CID 71375037

Frequently Asked Questions

What is the IUPAC name of 2-phenylselanylethene-1,1-diol?
The IUPAC name of 2-phenylselanylethene-1,1-diol (CID 11790922) is 2-phenylselanylethene-1,1-diol.
What is the SMILES notation for 2-phenylselanylethene-1,1-diol?
The canonical SMILES for 2-phenylselanylethene-1,1-diol is OC(O)=C[Se]c1ccccc1.
What is the InChIKey of 2-phenylselanylethene-1,1-diol?
The InChIKey is CMKIJRQWWIOBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2Se/c9-8(10)6-11-7-4-2-1-3-5-7/h1-6,9-10H.
What are the key properties of 2-phenylselanylethene-1,1-diol?
2-phenylselanylethene-1,1-diol has a molecular weight of 215.11 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylselanylethene-1,1-diol is sourced from PubChem (CID 11790922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).