3-[2-(2,5-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylphenol
PubChem CID: 24796718
Connections displayed (default: 10).
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| Topological Polar Surface Area | 47.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(2,5-dimethoxyphenyl)ethyl]-5-methoxy-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MCGBGFSBRNQMCO-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.691 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.714 |
| Compound Name | 3-[2-(2,5-Dimethoxyphenyl)ethyl]-5-methoxy-2-methylphenol |
| 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 | -4.2801303636363635 |
| Inchi | InChI=1S/C18H22O4/c1-12-13(9-16(21-3)11-17(12)19)5-6-14-10-15(20-2)7-8-18(14)22-4/h7-11,19H,5-6H2,1-4H3 |
| Smiles | CC1=C(C=C(C=C1O)OC)CCC2=C(C=CC(=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients