5-[2-(3-Hydroxyphenyl)ethyl]-4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol
PubChem CID: 101995286
Connections displayed (default: 10).
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 533.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]-4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.2 |
| Molecular Formula | C28H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPTSLJNPLKWZDU-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.156 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.842 |
| Compound Name | 5-[2-(3-Hydroxyphenyl)ethyl]-4,6-bis[(4-hydroxyphenyl)methyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 442.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.565750018181819 |
| Inchi | InChI=1S/C28H26O5/c29-21-9-4-19(5-10-21)15-25-24(13-8-18-2-1-3-23(31)14-18)26(28(33)17-27(25)32)16-20-6-11-22(30)12-7-20/h1-7,9-12,14,17,29-33H,8,13,15-16H2 |
| Smiles | C1=CC(=CC(=C1)O)CCC2=C(C(=CC(=C2CC3=CC=C(C=C3)O)O)O)CC4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pleione Bulbocodioides (Plant) Rel Props:Source_db:cmaup_ingredients