2-Hydroxy-1,7,8-trimethoxypyrene
PubChem CID: 10757180
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| Compound Synonyms | 2-hydroxy-1,7,8-trimethoxypyrene |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7,8-trimethoxypyren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDTIUHCVSBKXKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.611 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.564 |
| Compound Name | 2-Hydroxy-1,7,8-trimethoxypyrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.960147208695652 |
| Inchi | InChI=1S/C19H16O4/c1-21-15-9-11-5-4-10-8-14(20)18(22-2)12-6-7-13(19(15)23-3)17(11)16(10)12/h4-9,20H,1-3H3 |
| Smiles | COC1=C(C2=C3C(=C1)C=CC4=CC(=C(C(=C43)C=C2)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crotalaria Pallida (Plant) Rel Props:Source_db:cmaup_ingredients