2-(3,4,5-Trimethoxyphenyl)phenol
PubChem CID: 44605717
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| Compound Synonyms | CHEMBL1076279 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4,5-trimethoxyphenyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKOIGOIMEKSAON-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.257 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.157 |
| Compound Name | 2-(3,4,5-Trimethoxyphenyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6164602210526313 |
| Inchi | InChI=1S/C15H16O4/c1-17-13-8-10(9-14(18-2)15(13)19-3)11-6-4-5-7-12(11)16/h4-9,16H,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=CC=CC=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all