| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 13 | Yes |
Popular Name: 3-(BENZYLOXY)CYCLOBUTANOL 3-(BENZYLOXY)CYCLOBUTANOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100058-61-5 , 1383813-54-4 , 233276-35-2
(1r,3r)-3-(benzyloxy)cyclobutan-1-ol
(1s,3s)-3-(Benzyloxy)cyclobutanol
2-(2-Chloro-phenoxy)-propylamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.64 | 3.72 | -46.31 | 0 | 2 | -1 | 32 | 177.223 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 3.18 | -4.61 | 1 | 2 | 0 | 29 | 178.231 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP1049696A1; WO1999037644A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.