3-phenylselanylpropan-1-ol

C9H12OSe — CID 10656305

IUPAC3-phenylselanylpropan-1-ol
SMILESOCCC[Se]c1ccccc1
InChIInChI=1S/C9H12OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyHMZBGYHWZQCHDA-UHFFFAOYSA-N
MW215.15 g/mol
LogP0.82
Rot. Bonds4

About 3-phenylselanylpropan-1-ol

3-phenylselanylpropan-1-ol (PubChem CID 10656305) has the molecular formula C9H12OSe and a molecular weight of 215.15 g/mol. Its IUPAC name is 3-phenylselanylpropan-1-ol.

Molecular Properties

Compound Name3-phenylselanylpropan-1-ol
PubChem CID10656305
Molecular FormulaC9H12OSe
Molecular Weight215.15 g/mol
Exact Mass216.01
IUPAC Name3-phenylselanylpropan-1-ol
SMILESOCCC[Se]c1ccccc1
InChIInChI=1S/C9H12OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKeyHMZBGYHWZQCHDA-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of 3-phenylselanylpropan-1-ol?
The IUPAC name of 3-phenylselanylpropan-1-ol (CID 10656305) is 3-phenylselanylpropan-1-ol.
What is the SMILES notation for 3-phenylselanylpropan-1-ol?
The canonical SMILES for 3-phenylselanylpropan-1-ol is OCCC[Se]c1ccccc1.
What is the InChIKey of 3-phenylselanylpropan-1-ol?
The InChIKey is HMZBGYHWZQCHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSe/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2.
What are the key properties of 3-phenylselanylpropan-1-ol?
3-phenylselanylpropan-1-ol has a molecular weight of 215.15 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylselanylpropan-1-ol is sourced from PubChem (CID 10656305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).