1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene

C15H13ClSe — CID 134932145

IUPAC1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(Cl)cc1)[Se]c1ccccc1
InChIInChI=1S/C15H13ClSe/c1-12(17-15-5-3-2-4-6-15)11-13-7-9-14(16)10-8-13/h2-11H,1H3/b12-11+
InChIKeyRDINKJCCBHSKMP-VAWYXSNFSA-N
MW307.68 g/mol
LogP3.73
Rot. Bonds3

About 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene

1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene (PubChem CID 134932145) has the molecular formula C15H13ClSe and a molecular weight of 307.68 g/mol. Its IUPAC name is 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
PubChem CID134932145
Molecular FormulaC15H13ClSe
Molecular Weight307.68 g/mol
Exact Mass307.99
IUPAC Name1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene
SMILESC/C(=C\c1ccc(Cl)cc1)[Se]c1ccccc1
InChIInChI=1S/C15H13ClSe/c1-12(17-15-5-3-2-4-6-15)11-13-7-9-14(16)10-8-13/h2-11H,1H3/b12-11+
InChIKeyRDINKJCCBHSKMP-VAWYXSNFSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.73
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-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene (CID 134932145) is 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene is C/C(=C\c1ccc(Cl)cc1)[Se]c1ccccc1.
What is the InChIKey of 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene?
The InChIKey is RDINKJCCBHSKMP-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H13ClSe/c1-12(17-15-5-3-2-4-6-15)11-13-7-9-14(16)10-8-13/h2-11H,1H3/b12-11+.
What are the key properties of 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene?
1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene has a molecular weight of 307.68 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-2-phenylselanylprop-1-enyl]benzene is sourced from PubChem (CID 134932145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).