2-(4-Hydroxy-3-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-prop-2-enylphenol
PubChem CID: 5320619
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 606.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 7.9 |
| Molecular Formula | C28H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YOVASQUIMPDASA-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.764 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.597 |
| Compound Name | 2-(4-Hydroxy-3-prop-2-enylphenyl)-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-4-prop-2-enylphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 402.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 402.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 402.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.172183600000001 |
| Inchi | InChI=1S/C28H34O2/c1-6-8-20-15-24(21-11-13-27(29)22(17-21)9-7-2)28(30)26(16-20)25-14-19(5)10-12-23(25)18(3)4/h6-7,11,13-18,23,25,29-30H,1-2,8-10,12H2,3-5H3 |
| Smiles | CC1=CC(C(CC1)C(C)C)C2=CC(=CC(=C2O)C3=CC(=C(C=C3)O)CC=C)CC=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cymbopogon Distans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Dives (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Picea Sitchensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients