4-Cyclohexylphenol

C₁₂H₁₆OCAS 1131-60-8176.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
Melting point: 133 °C
Boiling point: 294 °C
logP: 3.44Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation34.5% of notifiers
H318 Causes serious eye damage64.6% of notifiers
H335 May cause respiratory irritation34.5% of notifiers
H400 Very toxic to aquatic life33.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects33.6% of notifiers
H411 Toxic to aquatic life with long lasting effects66.4% of notifiers

Aggregated from 113 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1131-60-8

SMILES

Oc1ccc(C2CCCCC2)cc1

InChIKey

OAHMVZYHIJQTQC-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2

Weigh it out

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

Names and synonyms

5 names

Phenol, 4-cyclohexyl-
Phenol, p-cyclohexyl-
p-Cyclohexylphenol
p-Hydroxyphenylcyclohexane
NSC 5245

Work with 4-Cyclohexylphenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dicyclohexylbenzene1087-02-171 % similar 1-Bromo-4-cyclohexylbenzene25109-28-862 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-759 % similar 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-157 % similar 4-(trans-4-Butylcyclohexyl)phenol88581-00-456 % similar Cyclohexylbenzene827-52-156 % similar 4-Cyclohexylbenzenamine6373-50-856 % similar 4-Cyclohexylbenzeneboronic acid374538-04-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-Phenylcyclohexanol1589-60-2 1-(4-Methylphenyl)-1-pentanone1671-77-8 Pentamethylbenzaldehyde17432-38-1 1-Phenyl-2-hexanone25870-62-6 1-Phenylhexan-3-one29898-25-7

Elsewhere

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