4-[2-(3,5-Dimethoxyphenyl)ethyl]phenol
PubChem CID: 146634
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| Compound Synonyms | 4-[2-(3,5-dimethoxyphenyl)ethyl]phenol, 116518-94-6, 4-(2-(3,5-Dimethoxyphenyl)ethyl)phenol, 1-(3,5-Dimethoxyphenyl)-2-(4-hydroxyphenyl)ethane, CHEMBL488414, SCHEMBL4735081, DTXSID10922087, 4-(3,5-Dimethoxyphenethyl)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 | 236.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3,5-dimethoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOOTZIKTRHIJPN-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.234 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.58 |
| Compound Name | 4-[2-(3,5-Dimethoxyphenyl)ethyl]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 | -3.928833821052631 |
| Inchi | InChI=1S/C16H18O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h5-11,17H,3-4H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1)CCC2=CC=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients