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Stilbostemin F

PubChem CID: 636713

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Compound Synonyms Stilbostemin F, 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methylphenol, CHEBI:70126, phenol, 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methyl-, 3-[2-(3-Hydroxy-2-methoxy-phenyl)-ethyl]-5-methoxy-2-methyl-phenol, 3-(2-(3-hydroxy-2-methoxyphenyl)ethyl)-5-methoxy-2-methylphenol, 3-(2-(3-Hydroxy-2-methoxy-phenyl)-ethyl)-5-methoxy-2-methyl-phenol, phenol, 3-(2-(3-hydroxy-2-methoxyphenyl)ethyl)-5-methoxy-2-methyl-, CHEMBL464292, 439900-96-6, Q27138466
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 309.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-[2-(3-hydroxy-2-methoxyphenyl)ethyl]-5-methoxy-2-methylphenol
Prediction Hob 1.0
Xlogp 3.7
Molecular Formula C17H20O4
Prediction Swissadme 1.0
Inchi Key XCEKLBSFNZXDES-UHFFFAOYSA-N
Fcsp3 0.2941176470588235
Logs -3.404
Rotatable Bond Count 5.0
Logd 3.604
Compound Name Stilbostemin F
Prediction Hob Swissadme 1.0
Exact Mass 288.136
Formal Charge 0.0
Monoisotopic Mass 288.136
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 288.34
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.070483742857142
Inchi InChI=1S/C17H20O4/c1-11-13(9-14(20-2)10-16(11)19)8-7-12-5-4-6-15(18)17(12)21-3/h4-6,9-10,18-19H,7-8H2,1-3H3
Smiles CC1=C(C=C(C=C1O)OC)CCC2=C(C(=CC=C2)O)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0