5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylphenol
PubChem CID: 163007487
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MQUZJXUZJHUOSQ-HNNXBMFYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -3.296 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.41 |
| Compound Name | 5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5517782705882346 |
| Inchi | InChI=1S/C15H22O2/c1-11(2)6-5-9-15(4,17)13-8-7-12(3)14(16)10-13/h6-8,10,16-17H,5,9H2,1-4H3/t15-/m0/s1 |
| Smiles | CC1=C(C=C(C=C1)[C@](C)(CCC=C(C)C)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Deliciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lepidium Apetalum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Momordica Dioica (Plant) Rel Props:Source_db:cmaup_ingredients