1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol

C15H11FOSe — CID 46928731

IUPAC1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol
SMILESOC(C#C[Se]c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FOSe/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15,17H
InChIKeyQQKQMKLAGNZTKG-UHFFFAOYSA-N
MW305.21 g/mol
LogP1.85
Rot. Bonds2

About 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol

1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol (PubChem CID 46928731) has the molecular formula C15H11FOSe and a molecular weight of 305.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol
PubChem CID46928731
Molecular FormulaC15H11FOSe
Molecular Weight305.21 g/mol
Exact Mass306.00
IUPAC Name1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol
SMILESOC(C#C[Se]c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FOSe/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15,17H
InChIKeyQQKQMKLAGNZTKG-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol (CID 46928731) is 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol is OC(C#C[Se]c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol?
The InChIKey is QQKQMKLAGNZTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FOSe/c16-13-8-6-12(7-9-13)15(17)10-11-18-14-4-2-1-3-5-14/h1-9,15,17H.
What are the key properties of 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol?
1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol has a molecular weight of 305.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenylselanylprop-2-yn-1-ol is sourced from PubChem (CID 46928731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).