(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione

C18H16O3Se — CID 139265523

IUPAC(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione
SMILESCC(O)C(=O)/C=C(\[Se]c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O3Se/c1-13(19)16(20)12-17(22-15-10-6-3-7-11-15)18(21)14-8-4-2-5-9-14/h2-13,19H,1H3/b17-12-
InChIKeyAGZFKAYKNGGSTL-ATVHPVEESA-N
MW359.28 g/mol
LogP1.73
Rot. Bonds6

About (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione

(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione (PubChem CID 139265523) has the molecular formula C18H16O3Se and a molecular weight of 359.28 g/mol. Its IUPAC name is (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione
PubChem CID139265523
Molecular FormulaC18H16O3Se
Molecular Weight359.28 g/mol
Exact Mass360.03
IUPAC Name(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione
SMILESCC(O)C(=O)/C=C(\[Se]c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H16O3Se/c1-13(19)16(20)12-17(22-15-10-6-3-7-11-15)18(21)14-8-4-2-5-9-14/h2-13,19H,1H3/b17-12-
InChIKeyAGZFKAYKNGGSTL-ATVHPVEESA-N
XLogP1.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
CID 139265077
(E)-4-phenyl-4-phenylselanylbut-3-en-2-one
CID 53355316
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
Se-phenyl 3-methylbut-2-eneselenoate
CID 12725292
ethane;3-methyl-2-methylidene-1-phenylbutan-1-one
CID 91407389
3-hydroxybutan-2-one;1-phenylethanone
CID 70281576

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione?
The IUPAC name of (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione (CID 139265523) is (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione.
What is the SMILES notation for (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione?
The canonical SMILES for (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione is CC(O)C(=O)/C=C(\[Se]c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione?
The InChIKey is AGZFKAYKNGGSTL-ATVHPVEESA-N. The full InChI is InChI=1S/C18H16O3Se/c1-13(19)16(20)12-17(22-15-10-6-3-7-11-15)18(21)14-8-4-2-5-9-14/h2-13,19H,1H3/b17-12-.
What are the key properties of (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione?
(Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione has a molecular weight of 359.28 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-1-phenyl-2-phenylselanylhex-2-ene-1,4-dione is sourced from PubChem (CID 139265523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).