1-(chloromethyl)-2-phenylselanylbenzene

C13H11ClSe — CID 102268499

IUPAC1-(chloromethyl)-2-phenylselanylbenzene
SMILESClCc1ccccc1[Se]c1ccccc1
InChIInChI=1S/C13H11ClSe/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyHRTJWVKURVNLFN-UHFFFAOYSA-N
MW281.64 g/mol
LogP2.08
Rot. Bonds3

About 1-(chloromethyl)-2-phenylselanylbenzene

1-(chloromethyl)-2-phenylselanylbenzene (PubChem CID 102268499) has the molecular formula C13H11ClSe and a molecular weight of 281.64 g/mol. Its IUPAC name is 1-(chloromethyl)-2-phenylselanylbenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-phenylselanylbenzene
PubChem CID102268499
Molecular FormulaC13H11ClSe
Molecular Weight281.64 g/mol
Exact Mass281.97
IUPAC Name1-(chloromethyl)-2-phenylselanylbenzene
SMILESClCc1ccccc1[Se]c1ccccc1
InChIInChI=1S/C13H11ClSe/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2
InChIKeyHRTJWVKURVNLFN-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.64
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-phenylselanylbenzene
CID 11054651
phenylselanylbenzene;dihydrochloride
CID 87206847
1-(2-phenylethynyl)-2-phenylselanylbenzene
CID 102230888
1-(fluoromethyl)-2-(phenyldiselanyl)benzene
CID 100913909
1-(phenylselanylmethyl)naphthalene
CID 12681932
formaldehyde;phenylselanylbenzene
CID 174430151
1-(chloromethyl)-2-ethylbenzene
CID 524243
1-(chloromethyl)-2-methylbenzene
CID 11093
CID 88723030
CID 88723030
2-(phenylselanylmethyl)benzoic acid
CID 16640973
1-benzyl-3-phenylselanylindole
CID 101452590
1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-phenylselanylbenzene?
The IUPAC name of 1-(chloromethyl)-2-phenylselanylbenzene (CID 102268499) is 1-(chloromethyl)-2-phenylselanylbenzene.
What is the SMILES notation for 1-(chloromethyl)-2-phenylselanylbenzene?
The canonical SMILES for 1-(chloromethyl)-2-phenylselanylbenzene is ClCc1ccccc1[Se]c1ccccc1.
What is the InChIKey of 1-(chloromethyl)-2-phenylselanylbenzene?
The InChIKey is HRTJWVKURVNLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClSe/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2.
What are the key properties of 1-(chloromethyl)-2-phenylselanylbenzene?
1-(chloromethyl)-2-phenylselanylbenzene has a molecular weight of 281.64 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-phenylselanylbenzene is sourced from PubChem (CID 102268499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).