3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione

C19H20O3Se — CID 11036153

IUPAC3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione
SMILESCCOC(CC(=O)c1ccccc1)C(=O)C[Se]c1ccccc1
InChIInChI=1S/C19H20O3Se/c1-2-22-19(13-17(20)15-9-5-3-6-10-15)18(21)14-23-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyFNHDEZQDLHJLHB-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.68
Rot. Bonds9

About 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione

3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione (PubChem CID 11036153) has the molecular formula C19H20O3Se and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione.

Molecular Properties

Compound Name3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione
PubChem CID11036153
Molecular FormulaC19H20O3Se
Molecular Weight375.33 g/mol
Exact Mass376.06
IUPAC Name3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione
SMILESCCOC(CC(=O)c1ccccc1)C(=O)C[Se]c1ccccc1
InChIInChI=1S/C19H20O3Se/c1-2-22-19(13-17(20)15-9-5-3-6-10-15)18(21)14-23-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3
InChIKeyFNHDEZQDLHJLHB-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethoxy-3-hydroxy-1-phenylpropan-1-one
CID 68510519
2-methoxy-4-oxo-4-phenylbutanoic acid;vanadium
CID 157458679
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858
(2S)-2-methyl-4-oxo-4-phenylbutanenitrile
CID 92981541
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
[(2R)-4-oxo-4-phenylbutan-2-yl] acetate
CID 71440942
1-(3-methoxyphenyl)-2-phenylselanylethanone
CID 168868534
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981
3-iodo-1-phenylpentan-1-one
CID 22934254
Se-phenyl 2-ethoxy-4-phenylbutaneselenoate
CID 11067999
3-ethoxy-1-phenylpentan-2-one
CID 116707454

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione?
The IUPAC name of 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione (CID 11036153) is 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione.
What is the SMILES notation for 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione?
The canonical SMILES for 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione is CCOC(CC(=O)c1ccccc1)C(=O)C[Se]c1ccccc1.
What is the InChIKey of 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione?
The InChIKey is FNHDEZQDLHJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3Se/c1-2-22-19(13-17(20)15-9-5-3-6-10-15)18(21)14-23-16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3.
What are the key properties of 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione?
3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione has a molecular weight of 375.33 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-phenyl-5-phenylselanylpentane-1,4-dione is sourced from PubChem (CID 11036153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).