4-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2-oxatricyclo[4.3.0.01,3]non-8-en-7-one
PubChem CID: 5318288
Connections displayed (default: 10).
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| Topological Polar Surface Area | 79.3 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 503.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2-oxatricyclo[4.3.0.01,3]non-8-en-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C16H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YSPZYCRBENTIPL-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.638 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.214 |
| Compound Name | 4-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2-oxatricyclo[4.3.0.01,3]non-8-en-7-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.823582371428571 |
| Inchi | InChI=1S/C16H16O5/c1-20-14-6-9(2-3-13(14)19)10-7-11-12(18)4-5-15(11)16(10,8-17)21-15/h2-6,10-11,17,19H,7-8H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)C2CC3C(=O)C=CC34C2(O4)CO)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picrasma Quassioides (Plant) Rel Props:Source_db:cmaup_ingredients