1-ethyl-4-(phenylselanylmethyl)benzene

C15H16Se — CID 140560574

IUPAC1-ethyl-4-(phenylselanylmethyl)benzene
SMILESCCc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C15H16Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyWNLXFLFPBBDGID-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.78
Rot. Bonds4

About 1-ethyl-4-(phenylselanylmethyl)benzene

1-ethyl-4-(phenylselanylmethyl)benzene (PubChem CID 140560574) has the molecular formula C15H16Se and a molecular weight of 275.25 g/mol. Its IUPAC name is 1-ethyl-4-(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(phenylselanylmethyl)benzene
PubChem CID140560574
Molecular FormulaC15H16Se
Molecular Weight275.25 g/mol
Exact Mass276.04
IUPAC Name1-ethyl-4-(phenylselanylmethyl)benzene
SMILESCCc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C15H16Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyWNLXFLFPBBDGID-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.78
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-ethyl-4-(phenylselanylmethyl)benzene?
The IUPAC name of 1-ethyl-4-(phenylselanylmethyl)benzene (CID 140560574) is 1-ethyl-4-(phenylselanylmethyl)benzene.
What is the SMILES notation for 1-ethyl-4-(phenylselanylmethyl)benzene?
The canonical SMILES for 1-ethyl-4-(phenylselanylmethyl)benzene is CCc1ccc(C[Se]c2ccccc2)cc1.
What is the InChIKey of 1-ethyl-4-(phenylselanylmethyl)benzene?
The InChIKey is WNLXFLFPBBDGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethyl-4-(phenylselanylmethyl)benzene?
1-ethyl-4-(phenylselanylmethyl)benzene has a molecular weight of 275.25 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(phenylselanylmethyl)benzene is sourced from PubChem (CID 140560574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).