1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene

C16H18Se — CID 132527662

IUPAC1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene
SMILESCc1cc(C)c([Se]c2ccccc2C)c(C)c1
InChIInChI=1S/C16H18Se/c1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2/h5-10H,1-4H3
InChIKeyPKWVSXGJXUMPQX-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.58
Rot. Bonds2

About 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene

1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene (PubChem CID 132527662) has the molecular formula C16H18Se and a molecular weight of 289.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene
PubChem CID132527662
Molecular FormulaC16H18Se
Molecular Weight289.28 g/mol
Exact Mass290.06
IUPAC Name1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene
SMILESCc1cc(C)c([Se]c2ccccc2C)c(C)c1
InChIInChI=1S/C16H18Se/c1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2/h5-10H,1-4H3
InChIKeyPKWVSXGJXUMPQX-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 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene (CID 132527662) is 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene is Cc1cc(C)c([Se]c2ccccc2C)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene?
The InChIKey is PKWVSXGJXUMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Se/c1-11-9-13(3)16(14(4)10-11)17-15-8-6-5-7-12(15)2/h5-10H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene?
1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene 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 1,3,5-trimethyl-2-(2-methylphenyl)selanylbenzene is sourced from PubChem (CID 132527662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).