4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol
PubChem CID: 14213231
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C18H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FDBCZVHHFLWSJZ-LHNBFNSWSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.223 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.037 |
| Compound Name | 4-[(1R,2R)-1-hydroxy-2-[4-[(E)-prop-1-enyl]phenoxy]propyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 284.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.1024581428571425 |
| Inchi | InChI=1S/C18H20O3/c1-3-4-14-5-11-17(12-6-14)21-13(2)18(20)15-7-9-16(19)10-8-15/h3-13,18-20H,1-2H3/b4-3+/t13-,18+/m1/s1 |
| Smiles | C/C=C/C1=CC=C(C=C1)O[C@H](C)[C@@H](C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients