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(e)-7-Methoxy-3-(4'-methoxybenzylidene) chroman-4-one

PubChem CID: 6507117

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Compound Synonyms CHEMBL250405, (e)-7-methoxy-3-(4'-methoxybenzylidene) chroman-4-one
Topological Polar Surface Area 44.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 22.0
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 (3E)-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Prediction Hob 1.0
Xlogp 3.3
Molecular Formula C18H16O4
Prediction Swissadme 0.0
Inchi Key JSIHERQFDBWWJU-UKTHLTGXSA-N
Fcsp3 0.1666666666666666
Logs -5.609
Rotatable Bond Count 3.0
Logd 3.452
Compound Name (e)-7-Methoxy-3-(4'-methoxybenzylidene) chroman-4-one
Prediction Hob Swissadme 0.0
Exact Mass 296.105
Formal Charge 0.0
Monoisotopic Mass 296.105
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 296.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -3.9492327636363638
Inchi InChI=1S/C18H16O4/c1-20-14-5-3-12(4-6-14)9-13-11-22-17-10-15(21-2)7-8-16(17)18(13)19/h3-10H,11H2,1-2H3/b13-9+
Smiles COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=CC(=C3)OC
Nring 3.0
Defined Bond Stereocenter Count 1.0