3-[(2,3-Dihydroxy-4-propan-2-ylphenyl)methyl]-6-propan-2-ylbenzene-1,2-diol
PubChem CID: 102510329
Connections displayed (default: 10).
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(2,3-dihydroxy-4-propan-2-ylphenyl)methyl]-6-propan-2-ylbenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FFNJJDOZGFQMOU-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -3.732 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.69 |
| Compound Name | 3-[(2,3-Dihydroxy-4-propan-2-ylphenyl)methyl]-6-propan-2-ylbenzene-1,2-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.865848356521739 |
| Inchi | InChI=1S/C19H24O4/c1-10(2)14-7-5-12(16(20)18(14)22)9-13-6-8-15(11(3)4)19(23)17(13)21/h5-8,10-11,20-23H,9H2,1-4H3 |
| Smiles | CC(C)C1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)C(C)C)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients