4-(4′-Hydroxyphenyl)cyclohexanone

C₁₂H₁₄O₂CAS 105640-07-1190.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄O₂
Molar mass: 190.24 g/mol
Exact mass: 190.0994 Da
logP: 2.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

105640-07-1

SMILES

O=C1CCC(c2ccc(O)cc2)CC1

InChIKey

SLJYPZJZQIHNGU-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,13H,3-4,7-8H2

Weigh it out

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

Names and synonyms

5 names

Cyclohexanone, 4-(4-hydroxyphenyl)-
Cyclohexanone, 4-(p-hydroxyphenyl)-
4-(4-Hydroxyphenyl)cyclohexanone
4-(4-Oxocyclohexyl)phenol
4-(4'-Hydroxyphenyl)cyclohexanone

Work with 4-(4′-Hydroxyphenyl)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-Methylphenyl)cyclohexanone40503-90-063 % similar 4-(4-Oxocyclohexyl)benzamide73204-06-559 % similar 4-Cyclohexylphenol1131-60-857 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-647 % similar 4-(trans-4-Butylcyclohexyl)phenol88581-00-445 % similar trans-4′-(3,4-Difluorophenyl)[1,1′-bicyclohexyl]-4-one147622-85-344 % similar 4-Oxocyclohexanecarboxylic acid874-61-344 % similar

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

Same formula

Cinnamyl propionate103-56-0 1-(4-Methoxyphenyl)-1-penten-3-one104-27-8 4-Vinylbenzyl glycidyl ether113538-80-0 1-Methyl-7-methoxy-2-tetralone1204-23-5 Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-0 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-2 3-(4-(1-Methylethyl)phenyl)-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook