1-[(4-Hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol
PubChem CID: 155520502
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| Compound Synonyms | CHEMBL4449156 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(4-hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C23H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEEOMPQAWRRBPA-UHFFFAOYSA-N |
| Fcsp3 | 0.1304347826086956 |
| Logs | -5.011 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.95 |
| Compound Name | 1-[(4-Hydroxyphenyl)methyl]-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.874083948148149 |
| Inchi | InChI=1S/C23H20O4/c1-26-17-8-10-18-15(12-17)5-9-19-20(11-14-3-6-16(24)7-4-14)21(25)13-22(27-2)23(18)19/h3-10,12-13,24-25H,11H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)CC4=CC=C(C=C4)O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients