1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone

C16H14O2Se2 — CID 15576935

IUPAC1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Se][Se]c1ccccc1C(C)=O
InChIInChI=1S/C16H14O2Se2/c1-11(17)13-7-3-5-9-15(13)19-20-16-10-6-4-8-14(16)12(2)18/h3-10H,1-2H3
InChIKeyYKNYMNKJFTVUFC-UHFFFAOYSA-N
MW396.21 g/mol
LogP1.37
Rot. Bonds5

About 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone

1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone (PubChem CID 15576935) has the molecular formula C16H14O2Se2 and a molecular weight of 396.21 g/mol. Its IUPAC name is 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone
PubChem CID15576935
Molecular FormulaC16H14O2Se2
Molecular Weight396.21 g/mol
Exact Mass397.93
IUPAC Name1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Se][Se]c1ccccc1C(C)=O
InChIInChI=1S/C16H14O2Se2/c1-11(17)13-7-3-5-9-15(13)19-20-16-10-6-4-8-14(16)12(2)18/h3-10H,1-2H3
InChIKeyYKNYMNKJFTVUFC-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
1-(2-acetylphenyl)-2-bromoethanone
CID 10037328
(2-acetylphenyl)azanide;actinium
CID 23389380
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
CID 134132713
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-[2-[[(2-acetylphenyl)-dimethylsilyl]-dimethylsilyl]phenyl]ethanone
CID 101417764

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone?
The IUPAC name of 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone (CID 15576935) is 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone is CC(=O)c1ccccc1[Se][Se]c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone?
The InChIKey is YKNYMNKJFTVUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2Se2/c1-11(17)13-7-3-5-9-15(13)19-20-16-10-6-4-8-14(16)12(2)18/h3-10H,1-2H3.
What are the key properties of 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone?
1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone has a molecular weight of 396.21 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-acetylphenyl)diselanyl]phenyl]ethanone is sourced from PubChem (CID 15576935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).