2-Butyl-6-methylphenol
PubChem CID: 15570435
Connections displayed (default: 10).
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| Compound Synonyms | 2-butyl-6-methylphenol, 17269-96-4, DTXSID50574549, SCHEMBL21838, DTXCID20525321 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butyl-6-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C11H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | KUNNUNBSGQSGDY-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -2.804 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.274 |
| Compound Name | 2-Butyl-6-methylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 164.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 164.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4306376 |
| Inchi | InChI=1S/C11H16O/c1-3-4-7-10-8-5-6-9(2)11(10)12/h5-6,8,12H,3-4,7H2,1-2H3 |
| Smiles | CCCCC1=CC=CC(=C1O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynanchum Stauntoni (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vincetoxicum Glaucescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Vincetoxicum Stauntonii (Plant) Rel Props:Source_db:cmaup_ingredients