(alphaS)-4-Methoxy-beta-(4-methoxyphenyl)-alpha-methylbenzeneethanol
PubChem CID: 10683611
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| Compound Synonyms | Verimol F, 212516-39-7, (S)-1,1-bis(4-Methoxyphenyl)propan-2-ol, Benzeneethanol, 4-methoxy-.beta.-(4-methoxyphenyl)-.alpha.-methyl-, (.alpha.S)-, NHUSVJTYMHDUAP-LBPRGKRZSA-N, DTXSID201195137, (alphaS)-4-Methoxy-beta-(4-methoxyphenyl)-alpha-methylbenzeneethanol, (I+/-S)-4-Methoxy-I(2)-(4-methoxyphenyl)-I+/--methylbenzeneethanol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-1,1-bis(4-methoxyphenyl)propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NHUSVJTYMHDUAP-LBPRGKRZSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.905 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.32 |
| Compound Name | (alphaS)-4-Methoxy-beta-(4-methoxyphenyl)-alpha-methylbenzeneethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 272.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4506327999999993 |
| Inchi | InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3/t12-/m0/s1 |
| Smiles | C[C@@H](C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Anchusa Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Caryopteris Mongholica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Rubiginosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euphorbia Kansui (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Mappia Foetida (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Tortuosum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Satureja Atropatana (Plant) Rel Props:Source_db:cmaup_ingredients