2,6-Bis(2-methylpropyl)-4-methylphenol
PubChem CID: 5315473
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| Compound Synonyms | 2,6-bis(2-methylpropyl)-4-methylphenol, SCHEMBL536637 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-2,6-bis(2-methylpropyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FAVZTHXOOBZCOB-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.136 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.776 |
| Compound Name | 2,6-Bis(2-methylpropyl)-4-methylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4390072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)6-13-8-12(5)9-14(15(13)16)7-11(3)4/h8-11,16H,6-7H2,1-5H3 |
| Smiles | CC1=CC(=C(C(=C1)CC(C)C)O)CC(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients