4-(1,3,5-Trimethylhexyl)phenol
PubChem CID: 6427088
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| Compound Synonyms | 4-(1,3,5-trimethylhexyl)phenol, DTXSID50110062, 64114-43-8, SCHEMBL3764119, DTXCID3065322, SLULBVLEUPOSOI-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4,6-dimethylheptan-2-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLULBVLEUPOSOI-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.789 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.015 |
| Compound Name | 4-(1,3,5-Trimethylhexyl)phenol |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5305072 |
| Inchi | InChI=1S/C15H24O/c1-11(2)9-12(3)10-13(4)14-5-7-15(16)8-6-14/h5-8,11-13,16H,9-10H2,1-4H3 |
| Smiles | CC(C)CC(C)CC(C)C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cydonia Oblonga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients