3,4-Dimethoxy-9,10-dihydrophenanthrene-2,5-diol
PubChem CID: 10802118
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| Compound Synonyms | 3,4-dimethoxy-9,10-dihydrophenanthrene-2,5-diol, CHEMBL3746256 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethoxy-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUZTXPMSHKENJH-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.65 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.199 |
| Compound Name | 3,4-Dimethoxy-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7743599999999993 |
| Inchi | InChI=1S/C16H16O4/c1-19-15-12(18)8-10-7-6-9-4-3-5-11(17)13(9)14(10)16(15)20-2/h3-5,8,17-18H,6-7H2,1-2H3 |
| Smiles | COC1=C(C=C2CCC3=C(C2=C1OC)C(=CC=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients