(S)-(6,7-dimethoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
PubChem CID: 124385335
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| Topological Polar Surface Area | 60.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (S)-(6,7-dimethoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYFCQRXTDVRRMU-IBGZPJMESA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.088 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.535 |
| Compound Name | (S)-(6,7-dimethoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8223901333333337 |
| Inchi | InChI=1S/C19H19NO4/c1-22-14-6-4-12(5-7-14)19(21)18-15-11-17(24-3)16(23-2)10-13(15)8-9-20-18/h4-11,19,21H,1-3H3/t19-/m0/s1 |
| Smiles | COC1=CC=C(C=C1)[C@@H](C2=NC=CC3=CC(=C(C=C32)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Seriphidium Finitum (Plant) Rel Props:Source_db:cmaup_ingredients