2,4-Dihydroxy-Trans Cinnamic Acid

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.

Hydroxycinnamic acids

Organic compounds

Phenylpropanoids and polyketides

Cinnamic acids and derivatives

Hydroxycinnamic acids and derivatives

Calculated Property

kind Value Source
logP 1.49 ALOGPS
logS -2 ALOGPS
Water Solubility 1.59e+00 g/l ALOGPS
logP 1.53 ChemAxon
IUPAC Name (2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid ChemAxon
Traditional IUPAC Name (2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid ChemAxon
Molecular Weight 180.1574 ChemAxon
Monoisotopic Weight 180.042258744 ChemAxon
SMILES OC(=O)C=CC1=C(O)C=C(O)C=C1 ChemAxon
Molecular Formula C9H8O4 ChemAxon
InChI InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ ChemAxon
InChIKey InChIKey=HGEFWFBFQKWVMY-DUXPYHPUSA-N ChemAxon
Polar Surface Area (PSA) 77.76 ChemAxon
Refractivity 47.02 ChemAxon
Polarizability 17.11 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 3.64 ChemAxon
pKa (strongest basic) -5.6 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Chymotrypsinogen B : in Human