caffeic acid phenethyl ester

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 527
Total Number of Articles : 490
PubChem 5281787
Molecular Formula

C17H16O4

SMILES

C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+

synonyms
  • Caffeic acid phenethyl ester
  • Phenethyl caffeate
  • 104594-70-9
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Properties
Property Value
MW 284.31 g/mol
HBD 2
HBA 4
Rotatable Bond Count 6
Exact Mass 284.10485899 g/mol
Monoisotopic Mass 284.10485899 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 347
xlogp 4.2
Topological Polar Surface Area 66.8