4-[3-(4-Hydroxyphenyl)-2-methylidenebut-3-enyl]phenol
PubChem CID: 5321922
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-(4-hydroxyphenyl)-2-methylidenebut-3-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C17H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JTDGFKQJVBFRKH-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.35 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.885 |
| Compound Name | 4-[3-(4-Hydroxyphenyl)-2-methylidenebut-3-enyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.883709021052631 |
| Inchi | InChI=1S/C17H16O2/c1-12(11-14-3-7-16(18)8-4-14)13(2)15-5-9-17(19)10-6-15/h3-10,18-19H,1-2,11H2 |
| Smiles | C=C(CC1=CC=C(C=C1)O)C(=C)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients