Phenol, m-(1-(p-hydroxyphenethyl)-3-propyl-3-pyrrolidinyl)-
PubChem CID: 119611
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| Compound Synonyms | 27544-75-8, BRN 1493233, 3-(1-(p-Hydroxyphenethyl)-3-propyl-3-pyrrolidinyl)phenol, Phenol, m-(1-(p-hydroxyphenethyl)-3-propyl-3-pyrrolidinyl)-, Pyrrolidine, 1-(p-hydroxyphenethyl)-3-(m-hydroxyphenyl)-3-propyl-, DTXSID30950221, m-[1-(p-Hydroxyphenethyl)-3-propyl-3-pyrrolidinyl]phenol, 3-{1-[2-(4-HYDROXYPHENYL)ETHYL]-3-PROPYLPYRROLIDIN-3-YL}PHENOL |
|---|---|
| Topological Polar Surface Area | 43.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C21H27NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LRMYMYHAGWQOEO-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.653 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.908 |
| Compound Name | Phenol, m-(1-(p-hydroxyphenethyl)-3-propyl-3-pyrrolidinyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8747024 |
| Inchi | InChI=1S/C21H27NO2/c1-2-11-21(18-4-3-5-20(24)15-18)12-14-22(16-21)13-10-17-6-8-19(23)9-7-17/h3-9,15,23-24H,2,10-14,16H2,1H3 |
| Smiles | CCCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients