4-(4-chlorophenyl)selanylbutan-2-one

C10H11ClOSe — CID 23631859

IUPAC4-(4-chlorophenyl)selanylbutan-2-one
SMILESCC(=O)CC[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOSe/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyQRZLTRRQMINGGN-UHFFFAOYSA-N
MW261.61 g/mol
LogP2.07
Rot. Bonds4

About 4-(4-chlorophenyl)selanylbutan-2-one

4-(4-chlorophenyl)selanylbutan-2-one (PubChem CID 23631859) has the molecular formula C10H11ClOSe and a molecular weight of 261.61 g/mol. Its IUPAC name is 4-(4-chlorophenyl)selanylbutan-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)selanylbutan-2-one
PubChem CID23631859
Molecular FormulaC10H11ClOSe
Molecular Weight261.61 g/mol
Exact Mass261.97
IUPAC Name4-(4-chlorophenyl)selanylbutan-2-one
SMILESCC(=O)CC[Se]c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClOSe/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3
InChIKeyQRZLTRRQMINGGN-UHFFFAOYSA-N
XLogP2.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.61
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Phenylselanylbutan-2-one
CID 12531636
3-Pentanone, 2-(phenylseleno)-
CID 10868423
4-(Allylseleno)-1-chlorobenzene
CID 87141
2-Phenylselanylpropanoyl chloride
CID 10977788
3-(Phenylselanyl)butan-2-one
CID 12557553
(Z)-2-(4-chlorophenyl)selanylbut-2-enal
CID 13111778
3-Chloro-4-phenylselanylbutan-2-one
CID 13448714
4-Chloro-3-phenylselanylbutan-2-one
CID 13448715
1-(Phenylselanyl)butan-2-one
CID 13664024
(Z)-2-(4-chlorophenyl)selanylpent-2-enal
CID 139265075
(Z)-4-(4-chlorophenyl)selanylnon-3-en-5-one
CID 139265078
4-Chloro-2-methylphenylselanylacetic acid
CID 155569872

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)selanylbutan-2-one?
The IUPAC name of 4-(4-chlorophenyl)selanylbutan-2-one (CID 23631859) is 4-(4-chlorophenyl)selanylbutan-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)selanylbutan-2-one?
The canonical SMILES for 4-(4-chlorophenyl)selanylbutan-2-one is CC(=O)CC[Se]c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)selanylbutan-2-one?
The InChIKey is QRZLTRRQMINGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOSe/c1-8(12)6-7-13-10-4-2-9(11)3-5-10/h2-5H,6-7H2,1H3.
What are the key properties of 4-(4-chlorophenyl)selanylbutan-2-one?
4-(4-chlorophenyl)selanylbutan-2-one has a molecular weight of 261.61 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)selanylbutan-2-one is sourced from PubChem (CID 23631859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).