2-(3-Methoxyphenyl)cyclohexanone

C₁₃H₁₆O₂CAS 15547-89-4204.27 g/mol

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Properties

Molecular formula: C₁₃H₁₆O₂
Molar mass: 204.27 g/mol
Exact mass: 204.1150 Da
Boiling point: 150–158 °C (at 0.2 Torr)
logP: 2.92Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

15547-89-4

SMILES

COc1cccc(C2CCCCC2=O)c1

InChIKey

KACQSVYTBQDRGP-UHFFFAOYSA-N

InChI

InChI=1S/C13H16O2/c1-15-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14/h4-6,9,12H,2-3,7-8H2,1H3

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Names and synonyms

5 names

Cyclohexanone, 2-(3-methoxyphenyl)-
Cyclohexanone, 2-(m-methoxyphenyl)-
2-m-Methoxyphenylcyclohexanone
2-(3-Methoxyphenyl)cyclohexan-1-one
2-(3-Methoxy-phenyl)-cyclohexanon

Work with 2-(3-Methoxyphenyl)cyclohexanone

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-Phenylcyclohexanone1444-65-159 % similar 2-(3-Methoxyphenyl)pyrrolidine103861-77-448 % similar 3-Amino-3-(3-methoxyphenyl)propionic acid68208-19-546 % similar 3-Methoxy-α-methylbenzenemethanamine62409-13-643 % similar (αS)-3-Methoxy-α-methylbenzenemethanamine82796-69-843 % similar (R)-1-(3-Methoxyphenyl)ethylamine88196-70-743 % similar 3-(3-Methoxyphenyl)propionic acid10516-71-941 % similar 1,3-Dimethoxybenzene151-10-041 % similar

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

Same formula

Cinnamyl isobutyrate103-59-3 Cinnamyl butyrate103-61-7 (1S,2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene110567-21-0 1-Phenylcyclohexanecarboxylic acid1135-67-7 4-tert-Butylcinnamic acid1208-65-7 Isobutyl cinnamate122-67-8 Ethenyl 4-(1,1-dimethylethyl)benzoate15484-80-7 (1R,2S)-2-[(Phenylmethoxy)methyl]-3-cyclopenten-1-ol188399-48-6

Elsewhere

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