3,5-Dihydroxy-1,7-diphenylheptan
PubChem CID: 45782956
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| Compound Synonyms | CHEMBL5187571, 3,5-Dihydroxy-1,7-diphenylheptan |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-diphenylheptane-3,5-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C19H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QSUSPILNZCEGPK-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Rotatable Bond Count | 8.0 |
| Compound Name | 3,5-Dihydroxy-1,7-diphenylheptan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 284.178 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 284.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 284.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9992309428571424 |
| Inchi | InChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2 |
| Smiles | C1=CC=C(C=C1)CCC(CC(CCC2=CC=CC=C2)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients