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[(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

PubChem CID: 7966138

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Compound Synonyms CHEMBL1095904, SCHEMBL15384084, AKOS000850651
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 24.0
Isotope Atom Count 0.0
Molecular Complexity 423.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Prediction Hob 1.0
Xlogp 4.3
Molecular Formula C20H20O4
Prediction Swissadme 0.0
Inchi Key LBOIOHBTBLUNML-PDEGXQQQSA-N
Fcsp3 0.15
Logs -4.615
Rotatable Bond Count 8.0
Logd 3.878
Compound Name [(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Prediction Hob Swissadme 0.0
Exact Mass 324.136
Formal Charge 0.0
Monoisotopic Mass 324.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 324.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 2.0
Esol -4.7171312
Inchi InChI=1S/C20H20O4/c1-22-18-12-10-17(15-19(18)23-2)11-13-20(21)24-14-6-9-16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3/b9-6+,13-11+
Smiles COC1=C(C=C(C=C1)/C=C/C(=O)OC/C=C/C2=CC=CC=C2)OC
Nring 2.0
Defined Bond Stereocenter Count 2.0