4-phenylselanylbutan-2-ol

C10H14OSe — CID 14069480

IUPAC4-phenylselanylbutan-2-ol
SMILESCC(O)CC[Se]c1ccccc1
InChIInChI=1S/C10H14OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJROTYCYHKGYRGL-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.21
Rot. Bonds4

About 4-phenylselanylbutan-2-ol

4-phenylselanylbutan-2-ol (PubChem CID 14069480) has the molecular formula C10H14OSe and a molecular weight of 229.18 g/mol. Its IUPAC name is 4-phenylselanylbutan-2-ol.

Molecular Properties

Compound Name4-phenylselanylbutan-2-ol
PubChem CID14069480
Molecular FormulaC10H14OSe
Molecular Weight229.18 g/mol
Exact Mass230.02
IUPAC Name4-phenylselanylbutan-2-ol
SMILESCC(O)CC[Se]c1ccccc1
InChIInChI=1S/C10H14OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyJROTYCYHKGYRGL-UHFFFAOYSA-N
XLogP1.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-phenylselanylbutan-2-ol?
The IUPAC name of 4-phenylselanylbutan-2-ol (CID 14069480) is 4-phenylselanylbutan-2-ol.
What is the SMILES notation for 4-phenylselanylbutan-2-ol?
The canonical SMILES for 4-phenylselanylbutan-2-ol is CC(O)CC[Se]c1ccccc1.
What is the InChIKey of 4-phenylselanylbutan-2-ol?
The InChIKey is JROTYCYHKGYRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OSe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 4-phenylselanylbutan-2-ol?
4-phenylselanylbutan-2-ol has a molecular weight of 229.18 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylselanylbutan-2-ol is sourced from PubChem (CID 14069480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).