2-(4-Methoxyphenyl)cyclohexanone

HCID 254292

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Basic information

CAS: 37087-68-6
Standard SMILES: COc1ccc(C2CCCCC2=O)cc1
InChIKey: BEBTXYAQBNBPJY-UHFFFAOYSA-N
Molecular formula: C13H16O2
Average molar mass: 204.26 g/mol
Monoisotopic mass: 204.11502975

Names & identifiers

Preferred name: 2-(4-Methoxyphenyl)cyclohexanone
IUPAC: 2-(4-methoxyphenyl)cyclohexan-1-one
English name: 2-(4-Methoxyphenyl)-1-cyclohexanone
Molecular formula: C13H16O2
Molecular weight: 204.26

Names & synonyms

2-(4-methoxyphenyl)cyclohexanone37087-68-6DTXSID30291823RefChem:252566DTXCID202429652-(4-methoxyphenyl)cyclohexan-1-oneNSC78469Cyclohexanone,2-(4-methoxyphenyl)-2-(4-METHOXYPHENYL)-1-CYCLOHEXANONESCHEMBL318066BEBTXYAQBNBPJY-UHFFFAOYSA-N2-(4-Methoxyphenyl)-cyclohexanone

Show more names

Cyclohexanone, 2-(4-methoxyphenyl)-

MFCD00090840NSC-78469AKOS0118981252-(4-methoxyphenyl)-cyclohexan-1-oneDS-000512EN300-1153059

Database identifiers

CAS: 37087-68-6
PubChem CID: 254292
DTXSID: DTXSID30291823
Nikkaji: J836.563F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Physicochemical properties

Melting point: 207 °C · 207 °C (decomp)
Boiling point: 156 · 156-166 °C(Press: 1 Torr)
Density: 1.068 · 1.068±0.06 g/cm3(Predicted)

Chemistry & industry

Applications · 1 item

Uses2-(4-Methoxyphenyl)cyclohexanone is a useful synthetic intermediate in the synthesis of rac-14-epi-Dextromethorphan (D299440); an analog of Dextromethorphan (D299445) which is an antitussive compound showing analgesic properties. Dextromethorphan is used in cough medication formulations.