methylseleninylbenzene

C7H8OSe — CID 5325095

IUPACmethylseleninylbenzene
SMILESC[Se](=O)c1ccccc1
InChIInChI=1S/C7H8OSe/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYIAYROWKQNSDOV-UHFFFAOYSA-N
MW187.10 g/mol
LogP0.95
Rot. Bonds1

About methylseleninylbenzene

methylseleninylbenzene (PubChem CID 5325095) has the molecular formula C7H8OSe and a molecular weight of 187.10 g/mol. Its IUPAC name is methylseleninylbenzene.

Molecular Properties

Compound Namemethylseleninylbenzene
PubChem CID5325095
Molecular FormulaC7H8OSe
Molecular Weight187.10 g/mol
Exact Mass187.97
IUPAC Namemethylseleninylbenzene
SMILESC[Se](=O)c1ccccc1
InChIInChI=1S/C7H8OSe/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyYIAYROWKQNSDOV-UHFFFAOYSA-N
XLogP0.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methylseleninylbenzene 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 methylseleninylbenzene?
The IUPAC name of methylseleninylbenzene (CID 5325095) is methylseleninylbenzene.
What is the SMILES notation for methylseleninylbenzene?
The canonical SMILES for methylseleninylbenzene is C[Se](=O)c1ccccc1.
What is the InChIKey of methylseleninylbenzene?
The InChIKey is YIAYROWKQNSDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OSe/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylseleninylbenzene?
methylseleninylbenzene has a molecular weight of 187.10 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylseleninylbenzene is sourced from PubChem (CID 5325095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).