(1S,3S)-1,5-diphenylpentane-1,3-diol
PubChem CID: 162975494
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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 | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,3S)-1,5-diphenylpentane-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XOCHIQZDEBSMIX-IRXDYDNUSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.952 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.165 |
| Compound Name | (1S,3S)-1,5-diphenylpentane-1,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 256.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.339 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4663074210526315 |
| Inchi | InChI=1S/C17H20O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16-19H,11-13H2/t16-,17-/m0/s1 |
| Smiles | C1=CC=C(C=C1)CC[C@@H](C[C@@H](C2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Sikokiana (Plant) Rel Props:Source_db:cmaup_ingredients