3-[2-(3-Hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
PubChem CID: 642896
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| Compound Synonyms | 3-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol, STILBOSTEMIN E, 439900-95-5, phenol, 3-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-, CHEMBL464236, DTXSID90349091, InChI=1/C16H18O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-5,8-10,17-18H,6-7H2,1-2H |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | RSTDNUBRTQLVBF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 3-[2-(3-Hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.7778592 |
| Inchi | InChI=1S/C16H18O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-5,8-10,17-18H,6-7H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)O)CCC2=C(C(=CC=C2)O)OC |
| Xlogp | 3.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C16H18O4 |
- 1. Outgoing r'ship
FOUND_INto/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stemona Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients