methoxyselanylbenzene

C7H8OSe — CID 12890880

IUPACmethoxyselanylbenzene
SMILESCO[Se]c1ccccc1
InChIInChI=1S/C7H8OSe/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDFLCOYZTWHKUFJ-UHFFFAOYSA-N
MW187.10 g/mol
LogP0.58
Rot. Bonds2

About methoxyselanylbenzene

methoxyselanylbenzene (PubChem CID 12890880) has the molecular formula C7H8OSe and a molecular weight of 187.10 g/mol. Its IUPAC name is methoxyselanylbenzene.

Molecular Properties

Compound Namemethoxyselanylbenzene
PubChem CID12890880
Molecular FormulaC7H8OSe
Molecular Weight187.10 g/mol
Exact Mass187.97
IUPAC Namemethoxyselanylbenzene
SMILESCO[Se]c1ccccc1
InChIInChI=1S/C7H8OSe/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDFLCOYZTWHKUFJ-UHFFFAOYSA-N
XLogP0.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methoxyselanylphenol
CID 20836022
CID 87732165
CID 87732165
1,1'-biphenyl;methoxyphosphane
CID 69051753
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774
phenylselanyl benzeneseleninate
CID 131859486
phenylselanylbenzene;dihydrochloride
CID 173104242
phenylselanylbenzene;dihydrochloride
CID 87206847
hydrogen peroxide;(phenyldiselanyl)benzene
CID 161157023
tert-butylselanylbenzene
CID 11171880
benzene;1,1'-biphenyl;ethane
CID 158550617
phenyl selenohypochlorite
CID 21928
diphenoxy(phenylselanyl)phosphane
CID 135023315

Frequently Asked Questions

What is the IUPAC name of methoxyselanylbenzene?
The IUPAC name of methoxyselanylbenzene (CID 12890880) is methoxyselanylbenzene.
What is the SMILES notation for methoxyselanylbenzene?
The canonical SMILES for methoxyselanylbenzene is CO[Se]c1ccccc1.
What is the InChIKey of methoxyselanylbenzene?
The InChIKey is DFLCOYZTWHKUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OSe/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methoxyselanylbenzene?
methoxyselanylbenzene has a molecular weight of 187.10 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyselanylbenzene is sourced from PubChem (CID 12890880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).