4,6-Bis[(4-hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol
PubChem CID: 42642927
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,6-bis[(4-hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C28H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZFZIVSBWQRRRPE-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.379 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.012 |
| Compound Name | 4,6-Bis[(4-hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol |
| 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 | -6.7101744000000005 |
| Inchi | InChI=1S/C28H26O4/c29-22-11-6-20(7-12-22)16-25-24(15-10-19-4-2-1-3-5-19)26(28(32)18-27(25)31)17-21-8-13-23(30)14-9-21/h1-9,11-14,18,29-32H,10,15-17H2 |
| Smiles | C1=CC=C(C=C1)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 Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients