4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol
PubChem CID: 529893
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-(3-hydroxypropyl)-2,6-dimethoxyphenol, 20736-25-8, Dihydrosinapyl alcohol, DIHYDROSINAPYLALCOHOL, Benzenepropanol, 4-hydroxy-3,5-dimethoxy-, 1-Propanol, 3-(4-hydroxy-3,5-dimethoxyphenyl), 3,5-Dimethoxy-4-hydroxyhydrocinnamyl alcohol, MFCD00016572, bmse000586, CHEMBL3793371, DTXSID50336200, 2,6-dimethoxy-4-(3-oxidanylpropyl)phenol, AC1LB5S3, propanol syringol, 55B, QBF, SCHEMBL2914283, DTXCID10287289, PHOPGVYKZWPIGA-UHFFFAOYSA-N, BDBM50162704, AKOS022186532, DS-8445, FD67266, HY-W025371, SY121232, 4-(3-hydroxypropyl)-2,6-dimethoxy-phenol, CS-0061898, EN300-264459, W17166, 815-845-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCCCcccOC))ccc6)OC)))O |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q08499 |
| Iupac Name | 4-(3-hydroxypropyl)-2,6-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H16O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PHOPGVYKZWPIGA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4545454545454545 |
| Logs | -1.815 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.373 |
| Synonyms | dihydrosinapyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | 4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 212.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.0291189999999997 |
| Inchi | InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)CCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendranthus Spicatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Erigeron Bonariensis (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Inula Britannica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Inula Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all