4-Methyl-2-phenyl-2-pentenal

C₁₂H₁₄OCAS 26643-91-4174.24 g/mol

Open in Covalent MOL file

Aldehyde Alkene

Properties

Molecular formula: C₁₂H₁₄O
Molar mass: 174.24 g/mol
Exact mass: 174.1045 Da
Boiling point: 82–87 °C (at 0.7 Torr)
logP: 2.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

26643-91-4

SMILES

CC(C)C=C(C=O)c1ccccc1

InChIKey

ULRYRAHIBWLZKC-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzeneacetaldehyde, α-(2-methylpropylidene)-
2-Pentenal, 4-methyl-2-phenyl-
α-(2-Methylpropylidene)benzeneacetaldehyde
2-Phenyl-4-methylpent-2-enal

Work with 4-Methyl-2-phenyl-2-pentenal

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

2-Phenyl-2-butenal4411-89-658 % similar 5-Methyl-2-phenyl-2-hexenal21834-92-457 % similar Phenylglyoxal1074-12-044 % similar α-Methylcinnamaldehyde101-39-340 % similar Isobutyrophenone611-70-138 % similar α-Bromopropiophenone2114-00-336 % similar N,N-Bis(1-methylethyl)benzamide20383-28-235 % similar 2-Fluoro-1-phenyl-1-propanone21120-36-535 % similar

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

Same formula

3,4-Dihydro-5,7-dimethyl-1(2H)-naphthalenone13621-25-5 2-Phenylcyclohexanone1444-65-1 2-Benzylcyclopentanone2867-63-2 2-Butylbenzofuran4265-27-4 4-Phenylcyclohexanone4894-75-1 Cyclopentyl phenyl ketone5422-88-8 6-Acetyltetralin774-55-0

Elsewhere

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