3-(2-phenylethynylselanyl)propan-1-ol

C11H12OSe — CID 24849972

IUPAC3-(2-phenylethynylselanyl)propan-1-ol
SMILESOCCC[Se]C#Cc1ccccc1
InChIInChI=1S/C11H12OSe/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,8-9H2
InChIKeyMYNCTXKBWVWKNB-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-phenylethynylselanyl)propan-1-ol

3-(2-phenylethynylselanyl)propan-1-ol (PubChem CID 24849972) has the molecular formula C11H12OSe and a molecular weight of 239.18 g/mol. Its IUPAC name is 3-(2-phenylethynylselanyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-phenylethynylselanyl)propan-1-ol
PubChem CID24849972
Molecular FormulaC11H12OSe
Molecular Weight239.18 g/mol
Exact Mass240.01
IUPAC Name3-(2-phenylethynylselanyl)propan-1-ol
SMILESOCCC[Se]C#Cc1ccccc1
InChIInChI=1S/C11H12OSe/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,8-9H2
InChIKeyMYNCTXKBWVWKNB-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynylselanyl)propan-1-ol?
The IUPAC name of 3-(2-phenylethynylselanyl)propan-1-ol (CID 24849972) is 3-(2-phenylethynylselanyl)propan-1-ol.
What is the SMILES notation for 3-(2-phenylethynylselanyl)propan-1-ol?
The canonical SMILES for 3-(2-phenylethynylselanyl)propan-1-ol is OCCC[Se]C#Cc1ccccc1.
What is the InChIKey of 3-(2-phenylethynylselanyl)propan-1-ol?
The InChIKey is MYNCTXKBWVWKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OSe/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,8-9H2.
What are the key properties of 3-(2-phenylethynylselanyl)propan-1-ol?
3-(2-phenylethynylselanyl)propan-1-ol has a molecular weight of 239.18 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynylselanyl)propan-1-ol is sourced from PubChem (CID 24849972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).