1-Phenylcyclohexene

C₁₂H₁₄CAS 31017-40-0158.24 g/mol

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Properties

Molecular formula: C₁₂H₁₄
Molar mass: 158.24 g/mol
Exact mass: 158.1096 Da
Density: 1.004 g/mL (at 0 °C)
Boiling point: 133 °C (at 20 Torr)
logP: 3.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

31017-40-0

SMILES

C1CCC(=CC1)C2=CC=CC=C2

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

5 names

Cyclohexen-1-ylbenzene
Benzene, cyclohexen-1-yl-
Benzene, cyclohexenyl-
Phenylcyclohexene
Cyclohexenylbenzene

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 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-Phenylcyclohexene771-98-2

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 Styrene-butadiene9003-55-8

Elsewhere

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