2-Cyclohexylbenzaldehyde

C13H16OCAS 128323-04-6188.27 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C13H16O
Molar mass
188.27 g/mol
Exact mass
188.1201 Da
logP
3.55Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
128323-04-6
SMILES
C1CCC(CC1)C2=CC=CC=C2C=O
InChIKey
SFNWXOPQLKYXHN-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2

Weigh it out

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

Work with 2-Cyclohexylbenzaldehyde

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

2-Cyclohexylphenol119-42-648 % similar Phthalaldehyde643-79-848 % similar 2-(Piperidin-1-yl)benzaldehyde34595-26-144 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-543 % similar Cyclohexylbenzene827-52-142 % similar 2-Bromobenzaldehyde6630-33-741 % similar 2-Iodobenzaldehyde26260-02-639 % similar 2-Fluorobenzaldehyde446-52-639 % 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-Phenylcycloheptan-1-one14996-78-2 5-Methyl-2-phenyl-2-hexenal21834-92-4 4-(4-Methylphenyl)cyclohexanone40503-90-0 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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