5-[2-(3-Hydroxyphenyl)ethyl]-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-2-methoxyphenol
PubChem CID: 14332032
Connections displayed (default: 10).
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| Topological Polar Surface Area | 79.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 577.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C29H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKYLEKPCGJXFBX-UHFFFAOYSA-N |
| Fcsp3 | 0.1724137931034483 |
| Logs | -3.783 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.408 |
| Compound Name | 5-[2-(3-Hydroxyphenyl)ethyl]-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 456.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 456.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.876588541176472 |
| Inchi | InChI=1S/C29H28O5/c1-33-29-27(32)18-23(11-10-22-5-3-7-25(31)17-22)19-28(29)34-26-14-12-20(13-15-26)8-9-21-4-2-6-24(30)16-21/h2-7,12-19,30-32H,8-11H2,1H3 |
| Smiles | COC1=C(C=C(C=C1OC2=CC=C(C=C2)CCC3=CC(=CC=C3)O)CCC4=CC(=CC=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Radula Perrottetii (Plant) Rel Props:Source_db:cmaup_ingredients