(3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol
PubChem CID: 13888136
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol, CHEMBL489757, AKOS040736307, 112494-44-7, F92850 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 280.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C19H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GIJBVGHAAVSQGB-RTBURBONSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.16 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.92 |
| Compound Name | (3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.858703963636364 |
| Inchi | InChI=1S/C19H24O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,18-22H,8-9,12-14H2/t18-,19-/m1/s1 |
| Smiles | C1=CC=C(C=C1)CC[C@H](C[C@@H](CCC2=CC=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all