2-chloro-2-phenacylselanyl-1-phenylethanone

C16H13ClO2Se — CID 14144206

IUPAC2-chloro-2-phenacylselanyl-1-phenylethanone
SMILESO=C(C[Se]C(Cl)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13ClO2Se/c17-16(15(19)13-9-5-2-6-10-13)20-11-14(18)12-7-3-1-4-8-12/h1-10,16H,11H2
InChIKeyRABHSFRRPKLDNS-UHFFFAOYSA-N
MW351.69 g/mol
LogP3.44
Rot. Bonds6

About 2-chloro-2-phenacylselanyl-1-phenylethanone

2-chloro-2-phenacylselanyl-1-phenylethanone (PubChem CID 14144206) has the molecular formula C16H13ClO2Se and a molecular weight of 351.69 g/mol. Its IUPAC name is 2-chloro-2-phenacylselanyl-1-phenylethanone.

Molecular Properties

Compound Name2-chloro-2-phenacylselanyl-1-phenylethanone
PubChem CID14144206
Molecular FormulaC16H13ClO2Se
Molecular Weight351.69 g/mol
Exact Mass351.98
IUPAC Name2-chloro-2-phenacylselanyl-1-phenylethanone
SMILESO=C(C[Se]C(Cl)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13ClO2Se/c17-16(15(19)13-9-5-2-6-10-13)20-11-14(18)12-7-3-1-4-8-12/h1-10,16H,11H2
InChIKeyRABHSFRRPKLDNS-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
CID 173152165
CID 173152165
4-oxo-4-phenylbutanoyl chloride
CID 10932389
2,4-dichloro-1-phenylbutan-1-one
CID 19063902
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
2,3-dichloro-1-phenylpentan-1-one
CID 140666488
4-chloro-1-phenylpentan-1-one
CID 14472970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenacylselanyl-1-phenylethanone?
The IUPAC name of 2-chloro-2-phenacylselanyl-1-phenylethanone (CID 14144206) is 2-chloro-2-phenacylselanyl-1-phenylethanone.
What is the SMILES notation for 2-chloro-2-phenacylselanyl-1-phenylethanone?
The canonical SMILES for 2-chloro-2-phenacylselanyl-1-phenylethanone is O=C(C[Se]C(Cl)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-2-phenacylselanyl-1-phenylethanone?
The InChIKey is RABHSFRRPKLDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2Se/c17-16(15(19)13-9-5-2-6-10-13)20-11-14(18)12-7-3-1-4-8-12/h1-10,16H,11H2.
What are the key properties of 2-chloro-2-phenacylselanyl-1-phenylethanone?
2-chloro-2-phenacylselanyl-1-phenylethanone has a molecular weight of 351.69 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenacylselanyl-1-phenylethanone is sourced from PubChem (CID 14144206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).