4,7-Dimethoxyphenanthren-2-ol
PubChem CID: 11557896
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| Compound Synonyms | CHEMBL497447 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C16H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BLEJCVUXRRNLMA-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.926 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.581 |
| Compound Name | 4,7-Dimethoxyphenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.356130157894737 |
| Inchi | InChI=1S/C16H14O3/c1-18-13-5-6-14-10(8-13)3-4-11-7-12(17)9-15(19-2)16(11)14/h3-9,17H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C=C(C=C3C=C2)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all