(2-Chlorophenyl)cyclopentylmethanone

C₁₂H₁₃ClOCAS 6740-85-8208.68 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₂H₁₃ClO
Molar mass: 208.68 g/mol
Exact mass: 208.0655 Da
Boiling point: 96–97 °C (at 0.3 Torr)
logP: 3.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

6740-85-8

SMILES

O=C(c1ccccc1Cl)C1CCCC1

InChIKey

QIJMMRNZBJHXRI-UHFFFAOYSA-N

InChI

InChI=1S/C12H13ClO/c13-11-8-4-3-7-10(11)12(14)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Methanone, (2-chlorophenyl)cyclopentyl-
Ketone, o-chlorophenyl cyclopentyl
Cyclopentyl o-chlorophenyl ketone
Cyclopentyl 2-chlorophenyl ketone
2-Chlorophenyl cyclopentyl ketone
(2-Chlorobenzoyl)cyclopentane
(2-Chlorophenyl)(cyclopentyl)methanone

Work with (2-Chlorophenyl)cyclopentylmethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclopentyl phenyl ketone5422-88-855 % similar Cyclohexyl phenyl ketone712-50-553 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-550 % similar Cyclobutyl phenyl ketone5407-98-750 % similar 1-Bromocyclopentyl-o-chlorophenyl ketone6740-86-949 % similar 2-Chlorobenzoyl chloride609-65-447 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-846 % similar 2-Amino-1-(2-chlorophenyl)ethanone743357-99-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(2-Chlorophenyl)cyclohexan-1-one91393-49-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook