Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-

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Basic information

CAS: 54669-80-6
Standard SMILES: O=C(CC1CCCCC1=O)c1ccc(Cl)cc1
InChIKey: LCPNLHHHNVWPAD-UHFFFAOYSA-N
Molecular formula: C14H15ClO2
Average molar mass: 250.72 g/mol
Monoisotopic mass: 250.0760574

Names & identifiers

Preferred name: Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-
IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexan-1-one

Names & synonyms

2-[2-(4-chlorophenyl)-2-oxoethyl]cyclohexan-1-one54669-80-6Cyclohexanone, 2-[2-(4-chlorophenyl)-2-oxoethyl]-SCHEMBL11839685DTXSID10483360LCPNLHHHNVWPAD-UHFFFAOYSA-N2-(p-chloro-phenacyl)cyclohexanone

Database identifiers

CAS: 54669-80-6
PubChem CID: 12270331
DTXSID: DTXSID10483360
Nikkaji: J2.844.235A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 293

Related reactions

1 records

New reaction record

HRID 1973458As reactantuspto-grants-1976_12

Compound notes

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