1-ethenyl-4-(phenylselanylmethyl)benzene

C15H14Se — CID 100961449

IUPAC1-ethenyl-4-(phenylselanylmethyl)benzene
SMILESC=Cc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C15H14Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h2-11H,1,12H2
InChIKeyBKJOPKXWOFYEBU-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.86
Rot. Bonds4

About 1-ethenyl-4-(phenylselanylmethyl)benzene

1-ethenyl-4-(phenylselanylmethyl)benzene (PubChem CID 100961449) has the molecular formula C15H14Se and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-ethenyl-4-(phenylselanylmethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(phenylselanylmethyl)benzene
PubChem CID100961449
Molecular FormulaC15H14Se
Molecular Weight273.24 g/mol
Exact Mass274.03
IUPAC Name1-ethenyl-4-(phenylselanylmethyl)benzene
SMILESC=Cc1ccc(C[Se]c2ccccc2)cc1
InChIInChI=1S/C15H14Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h2-11H,1,12H2
InChIKeyBKJOPKXWOFYEBU-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.86
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-ethenyl-4-(phenylselanylmethyl)benzene?
The IUPAC name of 1-ethenyl-4-(phenylselanylmethyl)benzene (CID 100961449) is 1-ethenyl-4-(phenylselanylmethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(phenylselanylmethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(phenylselanylmethyl)benzene is C=Cc1ccc(C[Se]c2ccccc2)cc1.
What is the InChIKey of 1-ethenyl-4-(phenylselanylmethyl)benzene?
The InChIKey is BKJOPKXWOFYEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Se/c1-2-13-8-10-14(11-9-13)12-16-15-6-4-3-5-7-15/h2-11H,1,12H2.
What are the key properties of 1-ethenyl-4-(phenylselanylmethyl)benzene?
1-ethenyl-4-(phenylselanylmethyl)benzene has a molecular weight of 273.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(phenylselanylmethyl)benzene is sourced from PubChem (CID 100961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).