4-[(E)-3-hydroxyprop-1-enyl]-2-[(1E)-3-methylbuta-1,3-dienyl]phenol
PubChem CID: 10242427
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-3-hydroxyprop-1-enyl]-2-[(1E)-3-methylbuta-1,3-dienyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C14H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUVVFAZLBVTNQR-BDWKERMESA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.707 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.526 |
| Compound Name | 4-[(E)-3-hydroxyprop-1-enyl]-2-[(1E)-3-methylbuta-1,3-dienyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3175359999999996 |
| Inchi | InChI=1S/C14H16O2/c1-11(2)5-7-13-10-12(4-3-9-15)6-8-14(13)16/h3-8,10,15-16H,1,9H2,2H3/b4-3+,7-5+ |
| Smiles | CC(=C)/C=C/C1=C(C=CC(=C1)/C=C/CO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coleonema Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corymbia Scabrida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nymphaea Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients