4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
PubChem CID: 6438674
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| Compound Synonyms | 96895-25-9, 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol, (R,E)-4,4'-(Penta-1,4-diene-1,3-diyl)diphenol, 4,4'-(3-Ethenyl-1-propene-1,3-diyl)-bisphenol, (+)-hinokiresinol, starbld0002260, UNII-LK6CH9D7UR, (7R)-trans-hinokiresinol, (7R)-(E)-hinokiresinol, CHEMBL199799 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 294.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C17H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEAUNWQYYMXIRB-BOTMBNHJSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -2.951 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.545 |
| Compound Name | 4-[(1E,3R)-3-(4-hydroxyphenyl)penta-1,4-dienyl]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 | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.367109021052631 |
| Inchi | InChI=1S/C17H16O2/c1-2-14(15-7-11-17(19)12-8-15)6-3-13-4-9-16(18)10-5-13/h2-12,14,18-19H,1H2/b6-3+/t14-/m1/s1 |
| Smiles | C=C[C@H](/C=C/C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:npass_chem_all