1-(4-Chlorophenyl)-5-methoxypentan-1-one
Basic information
- CAS
1346603-14-2- Standard SMILES
COCCCCC(=O)c1ccc(Cl)cc1- InChIKey
KNDKIXNRTKTQCI-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-5-methoxypentan-1-one
- IUPAC
- 1-(4-chlorophenyl)-5-methoxypentan-1-one
- English name
- 1-(4-Chlorophenyl)-5-Methoxy-1-pentanone
- Molecular formula
- C12H15ClO2
- Molecular weight
- 226.7
Names & synonyms
1346603-14-21-(4-chlorophenyl)-5-methoxypentan-1-one1-(4-Chlorophenyl)-5-methoxy-1-pentanonestarbld0003131SCHEMBL10706454DTXSID70603224DB-3006521-Pentanone, 1-(4-chlorophenyl)-5-methoxy-
Database identifiers
- CAS
1346603-14-2- PubChem CID
- 20165459
- DTXSID
DTXSID70603224
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- solubility
- Dichloromethane, Methanol, Toluene
- form
- Light Brown Wax
Chemistry & industry
Applications
Uses1-(4-Chlorophenyl)-5-methoxy-1-pentanone (cas# 1346603-14-2) is a compound useful in organic synthesis.
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Compound notes
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