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4-O-Methylcedrusin

PubChem CID: 44149614

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Compound Synonyms 4-O-Methylcedrusin, 149340-29-4, 2-(3',4'-Dimethoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7-hydroxybenzofuran-5-propan-1-ol, 5-Benzofuranpropanol, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-, (2S-trans)-, 4-O-dimethylcedrusin, CHEMBL457819, DTXSID60933623, (2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol, 2-(3,4-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-5-(3-HYDROXYPROPYL)-2,3-DIHYDRO-1-BENZOFURAN-7-OL, 293736-79-5
Topological Polar Surface Area 88.4
Hydrogen Bond Donor Count 3.0
Inchi Key CDQGQFPAQVLTLZ-HNAYVOBHSA-N
Rotatable Bond Count 7.0
Heavy Atom Count 26.0
Compound Name 4-O-Methylcedrusin
Exact Mass 360.157
Formal Charge 0.0
Brenk Violation False
Monoisotopic Mass 360.157
Isotope Atom Count 0.0
Molecular Complexity 433.0
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 360.4
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 2.0
Iupac Name (2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol
Total Atom Stereocenter Count 2.0
Nih Violation False
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1
Smiles COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC
Xlogp 2.1
Is Pains False
Defined Bond Stereocenter Count 0.0
Molecular Formula C20H24O6