2-[(1s)-2-(4-Hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol
PubChem CID: 101434749
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| Compound Synonyms | 2-[(1s)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-6-methoxy-4-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YHTNVFLIVNQHLW-ZDUSSCGKSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.8 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.616 |
| Compound Name | 2-[(1s)-2-(4-Hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7892296 |
| Inchi | InChI=1S/C20H24O4/c1-5-6-14-10-16(20(22)19(12-14)24-4)13(2)9-15-7-8-17(21)18(11-15)23-3/h5,7-8,10-13,21-22H,1,6,9H2,2-4H3/t13-/m0/s1 |
| Smiles | C[C@@H](CC1=CC(=C(C=C1)O)OC)C2=C(C(=CC(=C2)CC=C)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catalpa Bignonioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalonoplos Segetum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Esenbeckia Nesiotica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hyptis Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ipomoea Cristulata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lens Phaseoloides (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Lophozonia Menziesii (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pancratium Trianthum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Piper Pedicellosum (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Rhodotypos Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Xanthostemon Oppositifolius (Plant) Rel Props:Source_db:cmaup_ingredients