1-(4-Methylphenyl)-1-pentanone

C₁₂H₁₆OCAS 1671-77-8176.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆O
Molar mass: 176.26 g/mol
Exact mass: 176.1201 Da
Melting point: 17 °C
Boiling point: 261 °C
logP: 3.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

1671-77-8

SMILES

CCCCC(=O)c1ccc(C)cc1

InChIKey

BCVCZJADTSTKNH-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O/c1-3-4-5-12(13)11-8-6-10(2)7-9-11/h6-9H,3-5H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

1-Pentanone, 1-(4-methylphenyl)-
Valerophenone, 4′-methyl-
p-Methylvalerophenone
4′-Methylvalerophenone
NSC 115636

Work with 1-(4-Methylphenyl)-1-pentanone

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-Methylphenyl)-1-butanone4160-52-579 % similar Valerophenone1009-14-968 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-767 % similar 1-(4-Hydroxyphenyl)-1-pentanone2589-71-167 % similar 1-(4-Bromophenyl)-1-pentanone7295-44-567 % similar 1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-465 % similar Butyl 4-methoxyphenyl ketone1671-76-763 % similar 4′-Methylpropiophenone5337-93-961 % 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-Phenylcyclohexanol1589-60-2 1-Phenyl-2-hexanone25870-62-6 1-Phenyl-3-hexanone29898-25-7 (+)-trans-2-Phenylcyclohexanol34281-92-0

Elsewhere

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