2-(3,5-Dimethoxyphenethyl)phenol
PubChem CID: 19423974
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| Compound Synonyms | CHEMBL228127, SCHEMBL8704118, CUJQSBRMPIAHMC-UHFFFAOYSA-N, 2-(3,5-dimethoxyphenethyl)phenol, BDBM246489, 3,5-Dimethoxy-2'hydroxybibenzyl (7), 2-[2-(3,5-dimethoxyphenyl)ethyl]phenol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 244.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(3,5-dimethoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUJQSBRMPIAHMC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.1 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.632 |
| Compound Name | 2-(3,5-Dimethoxyphenethyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 258.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9288338210526312 |
| Inchi | InChI=1S/C16H18O3/c1-18-14-9-12(10-15(11-14)19-2)7-8-13-5-3-4-6-16(13)17/h3-6,9-11,17H,7-8H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)CCC2=CC=CC=C2O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Leitneria Floridana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thermopsis Mollis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all