4-(4-Methylphenyl)cyclohexanone

C₁₃H₁₆OCAS 40503-90-0188.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₆O
Molar mass: 188.27 g/mol
Exact mass: 188.1201 Da
logP: 3.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

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Names and synonyms

2 names

Cyclohexanone, 4-(4-methylphenyl)-
4-(p-Tolyl)cyclohexanone

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 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 1-[(Trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene129738-42-740 % similar 4,4'-Dimethylbenzoin1218-89-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

[[(2,2-Dimethyl-3-butyn-1-yl)oxy]methyl]benzene1092536-54-3 2-Cyclohexylbenzaldehyde128323-04-6 5-Methyl-2-phenyl-2-hexenal21834-92-4 4,4-Dimethyl-1-phenyl-1-penten-3-one538-44-3 Cyclohexyl phenyl ketone712-50-5 2-Benzylcyclohexanone946-33-8

Elsewhere

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