4-(4-Methylphenyl)cyclohexanone

C13H16OCAS 40503-90-0188.27 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C13H16O
Molar mass
188.27 g/mol
Exact mass
188.1201 Da
logP
3.22Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40503-90-0
SMILES
Cc1ccc(C2CCC(=O)CC2)cc1
InChIKey
XDHMORMQXOUOHT-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-5,12H,6-9H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Cyclohexanone, 4-(4-methylphenyl)-
  • 4-(p-Tolyl)cyclohexanone
  • 4-(4-Methylphenyl)cyclohexan-1-one

Work with 4-(4-Methylphenyl)cyclohexanone

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

4-Phenylcyclohexanone4894-75-163 % similar 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-163 % similar 4-(4-Oxocyclohexyl)benzamide73204-06-559 % similar (R)-4-Amino-3-P-tolylbutanoic acid67112-56-545 % similar (S)-4-Amino-3-P-tolylbutanoic acid67112-57-645 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-745 % similar trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one147622-85-344 % similar V-HHB-1155041-85-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(((2,2-Dimethylbut-3-yn-1-yl)oxy)methyl)benzene1092536-54-3 2-Cyclohexylbenzaldehyde128323-04-6 2-Phenylcycloheptan-1-one14996-78-2 5-Methyl-2-phenyl-2-hexenal21834-92-4 4,4-Dimethyl-1-phenyl-1-penten-3-one538-44-3 Cyclohexyl phenyl ketone712-50-5 1-Eth-1-ynyl-4-(pentyloxy)benzene79887-16-4 2-Benzylcyclohexanone946-33-8

Elsewhere

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