4-Methoxy-6-(2-(4-methoxyphenyl)ethyl)salicylic acid
PubChem CID: 3085829
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Notholaenic acid, 72578-97-3, M566RQH8Y7, 4-Methoxy-6-(2-(4-methoxyphenyl)ethyl)salicylic acid, EINECS 276-722-7, UNII-M566RQH8Y7, 4-METHOXY-6-[2-(4-METHOXYPHENYL)ETHYL]SALICYLIC ACID, 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]benzoic acid, DTXSID80222900, QTSHPXKETKYZMV-UHFFFAOYSA-N, NS00037386, Q7062961, Benzoic acid, 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]- |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]benzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTSHPXKETKYZMV-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.839 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.393 |
| Compound Name | 4-Methoxy-6-(2-(4-methoxyphenyl)ethyl)salicylic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.116057563636363 |
| Inchi | InChI=1S/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20) |
| Smiles | COC1=CC=C(C=C1)CCC2=C(C(=CC(=C2)OC)O)C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Cretica (Plant) Rel Props:Source_db:cmaup_ingredients