2-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-4,5-dimethoxyphenol
PubChem CID: 162901756
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-4,5-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ONLQTGWBJDVDQM-PIGZYNQJSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.544 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.59 |
| Compound Name | 2-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-4,5-dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5727837428571423 |
| Inchi | InChI=1S/C17H20O4/c1-11(17(19)12-7-5-4-6-8-12)13-9-15(20-2)16(21-3)10-14(13)18/h4-11,17-19H,1-3H3/t11-,17-/m1/s1 |
| Smiles | C[C@H](C1=CC(=C(C=C1O)OC)OC)[C@H](C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients