3,3',5-Trimethoxybibenzyl
PubChem CID: 15693460
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| Compound Synonyms | 3,3',5-Trimethoxybibenzyl, 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene, 1,3-dimethoxy-5-(2-(3-methoxyphenyl)ethyl)benzene, 33'5-Trimethoxybibenzyl, CHEMBL444998, SCHEMBL1975466, 101330-71-6 |
|---|---|
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C17H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JKLWPFRFUHSWOA-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -5.161 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.796 |
| Compound Name | 3,3',5-Trimethoxybibenzyl |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 272.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1280328 |
| Inchi | InChI=1S/C17H20O3/c1-18-15-6-4-5-13(9-15)7-8-14-10-16(19-2)12-17(11-14)20-3/h4-6,9-12H,7-8H2,1-3H3 |
| Smiles | COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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