(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethylpentan-1-ol
PubChem CID: 162999360
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C23H32O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLIRGXSBVYCXHC-HZPDHXFCSA-N |
| Fcsp3 | 0.4782608695652174 |
| Logs | -5.102 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.8 |
| Compound Name | (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethylpentan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.225 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 388.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.917267657142857 |
| Inchi | InChI=1S/C23H32O5/c1-15(11-12-24)16(2)23(17-7-9-19(25-3)21(13-17)27-5)18-8-10-20(26-4)22(14-18)28-6/h7-10,13-16,23-24H,11-12H2,1-6H3/t15-,16-/m1/s1 |
| Smiles | C[C@H](CCO)[C@@H](C)C(C1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Source_db:cmaup_ingredients