Benzene, 4-(2-(3,5-dimethoxyphenyl)ethyl)-1,2-dimethoxy-
PubChem CID: 14079759
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| Compound Synonyms | Gigantol tetramethyl ether, 22318-87-2, Benzene, 4-(2-(3,5-dimethoxyphenyl)ethyl)-1,2-dimethoxy-, Bibenzyl, 3,3',4,5'-tetramethoxy-, 3,3',4',5-Tetramethoxybibenzyl, CHEMBL519743, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene, DTXSID70176862, combretastsatin B-4 permethyl ether |
|---|---|
| Topological Polar Surface Area | 36.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HCRRYKYLZWKBBM-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.794 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.646 |
| Compound Name | Benzene, 4-(2-(3,5-dimethoxyphenyl)ethyl)-1,2-dimethoxy- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9306303636363635 |
| Inchi | InChI=1S/C18H22O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h7-12H,5-6H2,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients