Phenol, 5-(2-(3,4-dimethoxyphenyl)ethyl)-2-methoxy-
PubChem CID: 152354
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Phenol, 5-(2-(3,4-dimethoxyphenyl)ethyl)-2-methoxy-, 63367-99-7, DTXSID00212767, CHEMBL2093988, DTXCID30135258, DB-327189 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| 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 | 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UPOANTHMCQBWOE-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.866 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.372 |
| Compound Name | Phenol, 5-(2-(3,4-dimethoxyphenyl)ethyl)-2-methoxy- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.985583742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-15-8-6-12(10-14(15)18)4-5-13-7-9-16(20-2)17(11-13)21-3/h6-11,18H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)OC)OC)O |
| 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