1-(4-chlorophenyl)ethaneselenol

C8H9ClSe — CID 139265582

IUPAC1-(4-chlorophenyl)ethaneselenol
SMILESCC([SeH])c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClSe/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKeyMXEGFUYNACIBIM-UHFFFAOYSA-N
MW219.57 g/mol
LogP2.30
Rot. Bonds1

About 1-(4-chlorophenyl)ethaneselenol

1-(4-chlorophenyl)ethaneselenol (PubChem CID 139265582) has the molecular formula C8H9ClSe and a molecular weight of 219.57 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethaneselenol.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethaneselenol
PubChem CID139265582
Molecular FormulaC8H9ClSe
Molecular Weight219.57 g/mol
Exact Mass219.96
IUPAC Name1-(4-chlorophenyl)ethaneselenol
SMILESCC([SeH])c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClSe/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKeyMXEGFUYNACIBIM-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.57
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)ethylazanium
CID 18541873
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
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1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
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1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
(2R)-1-(4-chlorophenyl)propane-1,2-diol
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1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
3-(4-chlorophenyl)butan-2-one
CID 21269944
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
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CID 130676173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethaneselenol?
The IUPAC name of 1-(4-chlorophenyl)ethaneselenol (CID 139265582) is 1-(4-chlorophenyl)ethaneselenol.
What is the SMILES notation for 1-(4-chlorophenyl)ethaneselenol?
The canonical SMILES for 1-(4-chlorophenyl)ethaneselenol is CC([SeH])c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethaneselenol?
The InChIKey is MXEGFUYNACIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClSe/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3.
What are the key properties of 1-(4-chlorophenyl)ethaneselenol?
1-(4-chlorophenyl)ethaneselenol has a molecular weight of 219.57 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethaneselenol is sourced from PubChem (CID 139265582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).