2-(4-Methoxyphenyl)cyclopentanone
Basic information
- CAS
61349-69-7- Standard SMILES
COc1ccc(C2CCCC2=O)cc1- InChIKey
PPWHSTMDJUJTPE-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)cyclopentanone
- IUPAC
- 2-(4-methoxyphenyl)cyclopentan-1-one
- English name
- 2-(4-Methoxyphenyl)cyclopentanone
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
2-(4-METHOXYPHENYL)CYCLOPENTANONE2-(4-methoxyphenyl)cyclopentan-1-one61349-69-7SCHEMBL11637205MFCD11878029AKOS011896313SY462170DB-103670EN300-1153060Cyclopentanone, 2-(4-methoxyphenyl)-
Database identifiers
- CAS
61349-69-7- Nikkaji
- J1.928.421B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 115 · 115-120 °C(Press: 0.7 Torr)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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