4-[(4-Hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol
PubChem CID: 42642928
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(4-hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C21H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POCUKQUBQBYJJX-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.402 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.863 |
| Compound Name | 4-[(4-Hydroxyphenyl)methyl]-5-(2-phenylethyl)benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 320.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1951056 |
| Inchi | InChI=1S/C21H20O3/c22-18-10-7-16(8-11-18)12-20-17(13-19(23)14-21(20)24)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-11,13-14,22-24H,6,9,12H2 |
| Smiles | C1=CC=C(C=C1)CCC2=C(C(=CC(=C2)O)O)CC3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pleione Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients