(E)-4-phenyl-4-phenylselanylbut-3-en-2-one

C16H14OSe — CID 53355316

IUPAC(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
SMILESCC(=O)/C=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14OSe/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-12+
InChIKeyAVWFZHYDXOFCFD-FOWTUZBSSA-N
MW301.25 g/mol
LogP2.65
Rot. Bonds4

About (E)-4-phenyl-4-phenylselanylbut-3-en-2-one

(E)-4-phenyl-4-phenylselanylbut-3-en-2-one (PubChem CID 53355316) has the molecular formula C16H14OSe and a molecular weight of 301.25 g/mol. Its IUPAC name is (E)-4-phenyl-4-phenylselanylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
PubChem CID53355316
Molecular FormulaC16H14OSe
Molecular Weight301.25 g/mol
Exact Mass302.02
IUPAC Name(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
SMILESCC(=O)/C=C(/[Se]c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14OSe/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-12+
InChIKeyAVWFZHYDXOFCFD-FOWTUZBSSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
4-phenylpent-3-en-2-one
CID 594380
Se-phenyl 3-methylbut-2-eneselenoate
CID 12725292
ethane;4-phenylpent-3-en-2-one
CID 123324566
(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
CID 101356618
[(Z)-3-oxo-1-phenylbut-1-enyl]oxidanium
CID 6390563
4,4-diphenylbut-3-en-2-one;hydrazine
CID 158754130
4,4-diphenylbut-3-en-2-one;ethane;propan-2-one
CID 91332557
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
5-bromo-4-phenylpent-3-en-2-one
CID 54089835
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-4-phenylselanylbut-3-en-2-one?
The IUPAC name of (E)-4-phenyl-4-phenylselanylbut-3-en-2-one (CID 53355316) is (E)-4-phenyl-4-phenylselanylbut-3-en-2-one.
What is the SMILES notation for (E)-4-phenyl-4-phenylselanylbut-3-en-2-one?
The canonical SMILES for (E)-4-phenyl-4-phenylselanylbut-3-en-2-one is CC(=O)/C=C(/[Se]c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-4-phenyl-4-phenylselanylbut-3-en-2-one?
The InChIKey is AVWFZHYDXOFCFD-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H14OSe/c1-13(17)12-16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-12+.
What are the key properties of (E)-4-phenyl-4-phenylselanylbut-3-en-2-one?
(E)-4-phenyl-4-phenylselanylbut-3-en-2-one has a molecular weight of 301.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-4-phenylselanylbut-3-en-2-one is sourced from PubChem (CID 53355316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).