2-benzylselanylethanol

C9H12OSe — CID 3800027

IUPAC2-benzylselanylethanol
SMILESOCC[Se]Cc1ccccc1
InChIInChI=1S/C9H12OSe/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyIAHQFDYAULTKPN-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.30
Rot. Bonds4

About 2-benzylselanylethanol

2-benzylselanylethanol (PubChem CID 3800027) has the molecular formula C9H12OSe and a molecular weight of 215.15 g/mol. Its IUPAC name is 2-benzylselanylethanol.

Molecular Properties

Compound Name2-benzylselanylethanol
PubChem CID3800027
Molecular FormulaC9H12OSe
Molecular Weight215.15 g/mol
Exact Mass216.01
IUPAC Name2-benzylselanylethanol
SMILESOCC[Se]Cc1ccccc1
InChIInChI=1S/C9H12OSe/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyIAHQFDYAULTKPN-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexakis(benzylselanylmethyl)benzene
CID 4054244
5-benzylselanylpentanoic acid
CID 14962398
4-benzylselanyl-3,3-dimethylbutanoic acid
CID 561464
phenylmethanol;titanium;dihydrochloride
CID 88632851
ethane-1,2-diol;phenylmethanol
CID 69228462
potassium 2-benzylselanylacetate
CID 23697851
2-(1-methoxyethoxy)ethylselanylmethylbenzene
CID 20729103
benzyl selenohypobromite
CID 3301548
phenylmethanol;tetrabromomethane
CID 174808232
bis(benzylselanyl)methanethione
CID 13468467
1-(benzylselanylmethyl)-2-methylbenzene
CID 10039052
phenylmethanol;tungsten
CID 166544439

Frequently Asked Questions

What is the IUPAC name of 2-benzylselanylethanol?
The IUPAC name of 2-benzylselanylethanol (CID 3800027) is 2-benzylselanylethanol.
What is the SMILES notation for 2-benzylselanylethanol?
The canonical SMILES for 2-benzylselanylethanol is OCC[Se]Cc1ccccc1.
What is the InChIKey of 2-benzylselanylethanol?
The InChIKey is IAHQFDYAULTKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSe/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 2-benzylselanylethanol?
2-benzylselanylethanol has a molecular weight of 215.15 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylselanylethanol is sourced from PubChem (CID 3800027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).