2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene

C16H18Se — CID 86173294

IUPAC2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene
SMILESCc1cccc(C)c1[Se]c1c(C)cccc1C
InChIInChI=1S/C16H18Se/c1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChIKeyZZMXSMFABDJHJG-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.58
Rot. Bonds2

About 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene

2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene (PubChem CID 86173294) has the molecular formula C16H18Se and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene
PubChem CID86173294
Molecular FormulaC16H18Se
Molecular Weight289.28 g/mol
Exact Mass290.06
IUPAC Name2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene
SMILESCc1cccc(C)c1[Se]c1c(C)cccc1C
InChIInChI=1S/C16H18Se/c1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChIKeyZZMXSMFABDJHJG-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene?
The IUPAC name of 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene (CID 86173294) is 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene.
What is the SMILES notation for 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene?
The canonical SMILES for 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene is Cc1cccc(C)c1[Se]c1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene?
The InChIKey is ZZMXSMFABDJHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Se/c1-11-7-5-8-12(2)15(11)17-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene?
2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene has a molecular weight of 289.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)selanyl-1,3-dimethylbenzene is sourced from PubChem (CID 86173294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).