2-Hydroxy-4,7-dimethoxy-9,10-dihydrophenanthrene
PubChem CID: 24762426
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| Compound Synonyms | 2-Hydroxy4,7-dimethoxy-9,10-dihydrophenanthrene, 1000408-77-4, 2-Phenanthrenol, 9,10-dihydro-4,7-dimethoxy-, 2-hydroxy-4,7-dimethoxy-9,10-dihydrophenanthrene, CHEMBL254600, SCHEMBL23203411, 2-hydroxy-4,7-dimethoxyphenanthrene, HY-N10882, DA-60138, CS-0637316 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethoxy-9,10-dihydrophenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HWILQAUQOIOQMW-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.638 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.358 |
| Compound Name | 2-Hydroxy-4,7-dimethoxy-9,10-dihydrophenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9253346210526314 |
| Inchi | InChI=1S/C16H16O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h5-9,17H,3-4H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients