4-[2-(4-Hydroxy-2,3,5,6-tetramethylphenyl)ethyl]-2,3,5,6-tetramethylphenol
PubChem CID: 5319610
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 339.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(4-hydroxy-2,3,5,6-tetramethylphenyl)ethyl]-2,3,5,6-tetramethylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C22H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWQHGOVPEGRHPG-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.848 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.719 |
| Compound Name | 4-[2-(4-Hydroxy-2,3,5,6-tetramethylphenyl)ethyl]-2,3,5,6-tetramethylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0303759999999995 |
| Inchi | InChI=1S/C22H30O2/c1-11-15(5)21(23)16(6)12(2)19(11)9-10-20-13(3)17(7)22(24)18(8)14(20)4/h23-24H,9-10H2,1-8H3 |
| Smiles | CC1=C(C(=C(C(=C1CCC2=C(C(=C(C(=C2C)C)O)C)C)C)C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients