Cas no 1147-84-8 (4-butoxy-3,5-dimethoxybenzoic acid)

4-Butoxy-3,5-dimethoxybenzoic acid is a substituted benzoic acid derivative characterized by its butoxy and dimethoxy functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as an intermediate in the preparation of more complex molecules. The presence of electron-donating alkoxy groups enhances its solubility in organic solvents, facilitating its use in reactions requiring polar environments. Its benzoic acid core provides a reactive carboxyl group for further derivatization, such as esterification or amidation. The compound's structural features make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules with tailored properties.
4-butoxy-3,5-dimethoxybenzoic acid structure
1147-84-8 structure
Product Name:4-butoxy-3,5-dimethoxybenzoic acid
CAS No:1147-84-8
MF:C13H18O5
MW:254.279024600983
CID:1202572
PubChem ID:10445014
Update Time:2025-05-27

4-butoxy-3,5-dimethoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-butoxy-3,5-dimethoxy-
    • 4-butoxy-3,5-dimethoxybenzoic acid
    • 4-n-butoxy-3,5-dimethoxybenzoic acid
    • 4-butyloxy-3,5-dimethoxybenzoic acid
    • SCHEMBL5026091
    • DTXSID10440059
    • 1147-84-8
    • BAA14784
    • Z425843772
    • OVEWGFZLBASBNE-UHFFFAOYSA-N
    • EN300-14472554
    • Inchi: 1S/C13H18O5/c1-4-5-6-18-12-10(16-2)7-9(13(14)15)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H,14,15)
    • InChI Key: OVEWGFZLBASBNE-UHFFFAOYSA-N
    • SMILES: O(C1C(=CC(C(=O)O)=CC=1OC)OC)CCCC

Computed Properties

  • Exact Mass: 254.11544
  • Monoisotopic Mass: 254.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 7
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • PSA: 64.99

4-butoxy-3,5-dimethoxybenzoic acid Pricemore >>

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