7-[4-[2-(3-Hydroxyphenyl)ethyl]phenoxy]-9,10-dihydrophenanthrene-2,6-diol
PubChem CID: 155538700
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| Compound Synonyms | CHEMBL4524633 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 588.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]-9,10-dihydrophenanthrene-2,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C28H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XQBIHKVQPWNBSP-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.135 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.286 |
| Compound Name | 7-[4-[2-(3-Hydroxyphenyl)ethyl]phenoxy]-9,10-dihydrophenanthrene-2,6-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.8044752 |
| Inchi | InChI=1S/C28H24O4/c29-22-3-1-2-19(14-22)5-4-18-6-11-24(12-7-18)32-28-16-21-9-8-20-15-23(30)10-13-25(20)26(21)17-27(28)31/h1-3,6-7,10-17,29-31H,4-5,8-9H2 |
| Smiles | C1CC2=C(C=CC(=C2)O)C3=CC(=C(C=C31)OC4=CC=C(C=C4)CCC5=CC(=CC=C5)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lunularia Cruciata (Plant) Rel Props:Source_db:cmaup_ingredients