4,4'-Dihydroxy-3,3'-dimethoxybenzophenone
PubChem CID: 15740213
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| Compound Synonyms | CHEMBL4527448, SCHEMBL15814046, BDBM50537496, 4,4'-dihydroxy-3,3'-dimethoxybenzophenone |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(4-hydroxy-3-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Target Id | NPT665, NPT669 |
| Xlogp | 2.5 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKLYRUHUWRVLPC-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.415 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.396 |
| Compound Name | 4,4'-Dihydroxy-3,3'-dimethoxybenzophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2954863999999997 |
| Inchi | InChI=1S/C15H14O5/c1-19-13-7-9(3-5-11(13)16)15(18)10-4-6-12(17)14(8-10)20-2/h3-8,16-17H,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients