1-Phenylcyclohexene

C12H14CAS 771-98-2158.24 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C12H14
Molar mass
158.24 g/mol
Exact mass
158.1096 Da
Density
0.988 g/mL (at 20 °C)
Melting point
−11 °C
Boiling point
252 °C
logP
3.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
771-98-2
SMILES
C1=C(c2ccccc2)CCCC1
InChIKey
WCMSFBRREKZZFL-UHFFFAOYSA-N
InChI
InChI=1S/C12H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-9H,2,5-6,10H2

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-cyclohexen-1-yl-
  • Cyclohexene, 1-phenyl-
  • 1-Cyclohexen-1-ylbenzene
  • 1-Phenyl-1-cyclohexene
  • 2-Phenylcyclohexene
  • Cyclohex-1-en-1-ylbenzene
  • NSC 403862
  • NSC 44834
  • 2,3,4,5-Tetrahydro-1,1′-biphenyl

Work with 1-Phenylcyclohexene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Phenylcyclohexene31017-40-0

Similar compounds

1,2,3,6-Tetrahydro-4-phenylpyridine10338-69-950 % similar 1,6-Diphenyl-1,6-hexanedione3375-38-048 % similar 4-Phenyl-1,2,5,6-tetrahydropyridine hydrochloride43064-12-646 % similar 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride23007-85-442 % similar 1,4-Diphenyl-1,4-butanedione495-71-641 % similar Hexanophenone942-92-740 % similar Heptanophenone1671-75-639 % similar Octanophenone1674-37-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Hexyn-1-ylbenzene1129-65-3 1,3-Diisopropenylbenzene3748-13-8 4-tert-Butylphenylacetylene772-38-3 1-Butyl-4-eth-1-ynylbenzene79887-09-5 Styrene-butadiene9003-55-8

Elsewhere

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