2,4-Bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethyl)phenol
PubChem CID: 85687787
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| Topological Polar Surface Area | 69.9 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C29H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZSKXXXVAHIJGD-UHFFFAOYSA-N |
| Fcsp3 | 0.1724137931034483 |
| Logs | -3.729 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.143 |
| Compound Name | 2,4-Bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethyl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.922223618181818 |
| Inchi | InChI=1S/C29H28O4/c1-33-29-19-28(32)26(17-21-7-12-23(30)13-8-21)25(16-11-20-5-3-2-4-6-20)27(29)18-22-9-14-24(31)15-10-22/h2-10,12-15,19,30-32H,11,16-18H2,1H3 |
| Smiles | COC1=C(C(=C(C(=C1)O)CC2=CC=C(C=C2)O)CCC3=CC=CC=C3)CC4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Vittata (Plant) Rel Props:Source_db:cmaup_ingredients