1-(4-bromophenyl)selanyl-2,4-dimethylbenzene

C14H13BrSe — CID 135044964

IUPAC1-(4-bromophenyl)selanyl-2,4-dimethylbenzene
SMILESCc1ccc([Se]c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C14H13BrSe/c1-10-3-8-14(11(2)9-10)16-13-6-4-12(15)5-7-13/h3-9H,1-2H3
InChIKeyRXPKVRQOIMKPAE-UHFFFAOYSA-N
MW340.12 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene

1-(4-bromophenyl)selanyl-2,4-dimethylbenzene (PubChem CID 135044964) has the molecular formula C14H13BrSe and a molecular weight of 340.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(4-bromophenyl)selanyl-2,4-dimethylbenzene
PubChem CID135044964
Molecular FormulaC14H13BrSe
Molecular Weight340.12 g/mol
Exact Mass339.94
IUPAC Name1-(4-bromophenyl)selanyl-2,4-dimethylbenzene
SMILESCc1ccc([Se]c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C14H13BrSe/c1-10-3-8-14(11(2)9-10)16-13-6-4-12(15)5-7-13/h3-9H,1-2H3
InChIKeyRXPKVRQOIMKPAE-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 52.72
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-(4-bromophenyl)selanyl-2,4-dimethylbenzene?
The IUPAC name of 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene (CID 135044964) is 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene.
What is the SMILES notation for 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene?
The canonical SMILES for 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene is Cc1ccc([Se]c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene?
The InChIKey is RXPKVRQOIMKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrSe/c1-10-3-8-14(11(2)9-10)16-13-6-4-12(15)5-7-13/h3-9H,1-2H3.
What are the key properties of 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene?
1-(4-bromophenyl)selanyl-2,4-dimethylbenzene has a molecular weight of 340.12 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)selanyl-2,4-dimethylbenzene is sourced from PubChem (CID 135044964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).