chempirical

1-Phenylcyclohexanol

C12H16OCAS 1589-60-2176.26 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C12H16O
Molar mass
176.26 g/mol
Exact mass
176.1201 Da
Melting point
63.5 °C
Boiling point
151 °C (at 20 Torr)
logP
2.84Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1589-60-2
SMILES
OC1(c2ccccc2)CCCCC1
InChIKey
DTTDXHDYTWQDCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2

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

Names and synonyms

3 names
  • Cyclohexanol, 1-phenyl-
  • 1-Phenylcyclohexan-1-ol
  • NSC 21999

Work with 1-Phenylcyclohexanol

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-Hydroxy-4-phenylpiperidine40807-61-263 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-747 % similar Benzopinacol464-72-244 % similar Triphenylmethanol76-84-644 % similar 1-Phenylcyclopentanecarboxylic acid77-55-444 % similar 1-Phenylcyclopentanecarbonitrile77-57-643 % similar Diphenidol hydrochloride3254-89-542 % similar 1-Hydroxycyclohexyl phenyl ketone947-19-341 % similar

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

Same formula

1-(1,1-Dimethylethoxy)-3-ethenylbenzene105612-79-1 4-Cyclohexylphenol1131-60-8 2-Cyclohexylphenol119-42-6 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-0 1-(4-Methylphenyl)-1-pentanone1671-77-8 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7 (+)-trans-2-Phenylcyclohexanol34281-92-0

Elsewhere

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