1(3H)-Isobenzofuranone, 5-hydroxy-3-[(4-hydroxyphenyl)methylene]-
PubChem CID: 5377379
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| Compound Synonyms | NUBHVIPBAZTUQY-AUWJEWJLSA-N, 1(3H)-Isobenzofuranone, 5-hydroxy-3-[(4-hydroxyphenyl)methylene]-, (3Z)-5-Hydroxy-3-(4-hydroxybenzylidene)-2-benzofuran-1(3H)-one # |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-5-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2-benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NUBHVIPBAZTUQY-AUWJEWJLSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.245 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.763 |
| Compound Name | 1(3H)-Isobenzofuranone, 5-hydroxy-3-[(4-hydroxyphenyl)methylene]- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.5564626210526313 |
| Inchi | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-14-13-8-11(17)5-6-12(13)15(18)19-14/h1-8,16-17H/b14-7- |
| Smiles | C1=CC(=CC=C1/C=C\2/C3=C(C=CC(=C3)O)C(=O)O2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients