4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol
PubChem CID: 10646095
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| Compound Synonyms | Perrottetin E, CHEMBL4468731, Perrottetin E 1, 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol, 89911-97-7, DTXSID901346034, BDBM50540319 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[2-(3-hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT670 |
| Xlogp | 6.8 |
| Molecular Formula | C28H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCZHVLYTYFWOAX-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.75 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.419 |
| Compound Name | 4-[2-(3-Hydroxyphenyl)ethyl]-2-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 426.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.807974400000001 |
| Inchi | InChI=1S/C28H26O4/c29-24-5-1-3-21(17-24)8-7-20-11-14-26(15-12-20)32-28-19-23(13-16-27(28)31)10-9-22-4-2-6-25(30)18-22/h1-6,11-19,29-31H,7-10H2 |
| Smiles | C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC4=CC(=CC=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lunularia Cruciata (Plant) Rel Props:Source_db:cmaup_ingredients