(3R)-1,3-bis(4-hydroxyphenyl)pent-4-en-1-one
PubChem CID: 162882511
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-1,3-bis(4-hydroxyphenyl)pent-4-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVGYGUNTLQSTKJ-LBPRGKRZSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.494 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.858 |
| Compound Name | (3R)-1,3-bis(4-hydroxyphenyl)pent-4-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7532344 |
| Inchi | InChI=1S/C17H16O3/c1-2-12(13-3-7-15(18)8-4-13)11-17(20)14-5-9-16(19)10-6-14/h2-10,12,18-19H,1,11H2/t12-/m0/s1 |
| Smiles | C=C[C@@H](CC(=O)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients