3,5-diisopropylsalicylic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 102
Total Number of Articles : 110
PubChem 30543
Molecular Formula

C13H18O3

SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)O)O)C(C)C

InChI

InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)

synonyms
  • 3,5-Diisopropylsalicylic acid
  • 2215-21-6
  • 2-Hydroxy-3,5-diisopropylbenzoic acid
Click to show/hide the synonyms
Properties
Property Value
MW 222.28 g/mol
HBD 2
HBA 3
Rotatable Bond Count 3
Exact Mass 222.125594432 g/mol
Monoisotopic Mass 222.125594432 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 248
xlogp 5.5
Topological Polar Surface Area 57.5