5-Chloro-1-(3,4-dimethoxyphenyl)-1-pentanone

CAS Registry Number®

33245-77-1

CAS Name

5-Chloro-1-(3,4-dimethoxyphenyl)-1-pentanone

Molecular Formula

C13H17ClO3

Molecular Mass

256.73

Cite this Page

5-Chloro-1-(3,4-dimethoxyphenyl)-1-pentanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33245-77-1 (retrieved 2024-10-05) (CAS RN: 33245-77-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    42-45 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H17ClO3/c1-16-12-7-6-10(9-13(12)17-2)11(15)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3

InChIKey

InChIKey=VYOJBPHSFAMJDD-UHFFFAOYSA-N

SMILES

C(CCCCCl)(=O)C1=CC(OC)=C(OC)C=C1

Canonical SMILES

O=C(C1=CC=C(OC)C(OC)=C1)CCCCCl

Other Names for this Substance

  • 1-Pentanone, 5-chloro-1-(3,4-dimethoxyphenyl)-
  • Valerophenone, 5-chloro-3′,4′-dimethoxy-
  • 5-Chloro-1-(3,4-dimethoxyphenyl)-1-pentanone
  • 1-Chloro-5-(3,4-dimethoxyphenyl)-5-oxopentane

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