This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

4-O-Methylcedrusin

PubChem CID: 44149614

Connections displayed (default: 10).
Loading graph...

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