4-O-Methylcedrusin
PubChem CID: 44149614
Connections displayed (default: 10).
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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 |
| 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 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H24O6 |
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