Phenol, 5-(2-(3,5-dimethoxyphenyl)ethyl)-2-methoxy-
PubChem CID: 153349
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| Compound Synonyms | Phenol, 5-(2-(3,5-dimethoxyphenyl)ethyl)-2-methoxy-, 71135-71-2, DTXSID00221334, CHEMBL499970, SCHEMBL9090150, DTXCID00143825 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WOLBPQLCPNJXGD-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.629 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.644 |
| Compound Name | Phenol, 5-(2-(3,5-dimethoxyphenyl)ethyl)-2-methoxy- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.771383742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-17(21-3)16(18)10-12/h6-11,18H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)CCC2=CC(=CC(=C2)OC)OC)O |
| 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