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4-[(1R,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxy-phenol

PubChem CID: 13939327

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Compound Synonyms CHEMBL3105537, 4-[(1R,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxy-phenol
Topological Polar Surface Area 68.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 413.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 4-[(1R,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxyphenol
Prediction Hob 1.0
Xlogp 3.8
Molecular Formula C20H24O5
Prediction Swissadme 1.0
Inchi Key WCFYXOLUODJLKB-IJVJVEAYSA-N
Fcsp3 0.3
Logs -3.786
Rotatable Bond Count 7.0
Logd 2.835
Compound Name 4-[(1R,2R)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxy-phenol
Prediction Hob Swissadme 1.0
Exact Mass 344.162
Formal Charge 0.0
Monoisotopic Mass 344.162
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 344.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -4.243623400000001
Inchi InChI=1S/C20H24O5/c1-5-6-14-7-10-17(19(11-14)24-4)25-13(2)20(22)15-8-9-16(21)18(12-15)23-3/h5-13,20-22H,1-4H3/b6-5+/t13-,20+/m1/s1
Smiles C/C=C/C1=CC(=C(C=C1)O[C@H](C)[C@@H](C2=CC(=C(C=C2)O)OC)O)OC
Nring 2.0
Defined Bond Stereocenter Count 1.0