1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone

C14H12Cl2OSe — CID 11110755

IUPAC1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2OSe/c1-11(17)13-9-5-6-10-14(13)18(15,16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyFJNOCUHEFSHKSI-UHFFFAOYSA-N
MW346.12 g/mol
LogP2.92
Rot. Bonds3

About 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone

1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone (PubChem CID 11110755) has the molecular formula C14H12Cl2OSe and a molecular weight of 346.12 g/mol. Its IUPAC name is 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone
PubChem CID11110755
Molecular FormulaC14H12Cl2OSe
Molecular Weight346.12 g/mol
Exact Mass345.94
IUPAC Name1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone
SMILESCC(=O)c1ccccc1[Se](Cl)(Cl)c1ccccc1
InChIInChI=1S/C14H12Cl2OSe/c1-11(17)13-9-5-6-10-14(13)18(15,16)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyFJNOCUHEFSHKSI-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone?
The IUPAC name of 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone (CID 11110755) is 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone is CC(=O)c1ccccc1[Se](Cl)(Cl)c1ccccc1.
What is the InChIKey of 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone?
The InChIKey is FJNOCUHEFSHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2OSe/c1-11(17)13-9-5-6-10-14(13)18(15,16)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone?
1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone has a molecular weight of 346.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[dichloro(phenyl)-λ4-selanyl]phenyl]ethanone is sourced from PubChem (CID 11110755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).