2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene

C15H15ClSe — CID 135029325

IUPAC2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene
SMILESCc1cc(C)c([Se]c2ccccc2Cl)c(C)c1
InChIInChI=1S/C15H15ClSe/c1-10-8-11(2)15(12(3)9-10)17-14-7-5-4-6-13(14)16/h4-9H,1-3H3
InChIKeyMCCIYMMYATZCAQ-UHFFFAOYSA-N
MW309.70 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene

2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene (PubChem CID 135029325) has the molecular formula C15H15ClSe and a molecular weight of 309.70 g/mol. Its IUPAC name is 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene
PubChem CID135029325
Molecular FormulaC15H15ClSe
Molecular Weight309.70 g/mol
Exact Mass310.00
IUPAC Name2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene
SMILESCc1cc(C)c([Se]c2ccccc2Cl)c(C)c1
InChIInChI=1S/C15H15ClSe/c1-10-8-11(2)15(12(3)9-10)17-14-7-5-4-6-13(14)16/h4-9H,1-3H3
InChIKeyMCCIYMMYATZCAQ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.92
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-chlorophenyl)selanyl-1,3,5-trimethylbenzene?
The IUPAC name of 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene (CID 135029325) is 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene is Cc1cc(C)c([Se]c2ccccc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene?
The InChIKey is MCCIYMMYATZCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClSe/c1-10-8-11(2)15(12(3)9-10)17-14-7-5-4-6-13(14)16/h4-9H,1-3H3.
What are the key properties of 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene?
2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene has a molecular weight of 309.70 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)selanyl-1,3,5-trimethylbenzene is sourced from PubChem (CID 135029325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).