2-Phenyl-hex-5-en-3-ol
PubChem CID: 571676
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| Compound Synonyms | 2-Phenyl-hex-5-en-3-ol, 2-Phenyl-5-hexen-3-ol #, GARLJACXJADDSW-UHFFFAOYSA-N, AKOS018292100 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 147.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenylhex-5-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C12H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GARLJACXJADDSW-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.571 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.053 |
| Compound Name | 2-Phenyl-hex-5-en-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 176.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 176.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 176.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9003442615384616 |
| Inchi | InChI=1S/C12H16O/c1-3-7-12(13)10(2)11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3 |
| Smiles | CC(C1=CC=CC=C1)C(CC=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients