3-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
PubChem CID: 101845672
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.4 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 629.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C30H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROSXPHYAKOCSLI-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.475 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.974 |
| Compound Name | 3-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 486.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 486.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.851030133333333 |
| Inchi | InChI=1S/C30H30O6/c1-35-29-18-28(34)25(15-19-3-9-22(31)10-4-19)24(26(29)16-20-5-11-23(32)12-6-20)13-7-21-8-14-27(33)30(17-21)36-2/h3-6,8-12,14,17-18,31-34H,7,13,15-16H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)CCC2=C(C(=CC(=C2CC3=CC=C(C=C3)O)OC)O)CC4=CC=C(C=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients