3-[4-[(3-Chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-2-oxazolidinone
PubChem CID: 5259765
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| Compound Synonyms | A837523, 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-2-oxazolidinone |
|---|---|
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H18ClNO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BHCOKYJYXDKTPG-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.819 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.151 |
| Compound Name | 3-[4-[(3-Chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-2-oxazolidinone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 347.092 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.092 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 347.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1564476 |
| Inchi | InChI=1S/C18H18ClNO4/c1-22-12-17-10-20(18(21)24-17)15-5-7-16(8-6-15)23-11-13-3-2-4-14(19)9-13/h2-9,17H,10-12H2,1H3 |
| Smiles | COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients