5-(2-Hydroxyphenoxymethyl)furfural
PubChem CID: 636663
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| Compound Synonyms | 5-(2-Hydroxyphenoxymethyl)furfural, 5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde, 5-[(2-hydroxyphenoxy)methyl]-2-furaldehyde, 5-(2-Hydroxy-phenoxymethyl)-furan-2-carbaldehyde, 2-furancarboxaldehyde, 5-[(2-hydroxyphenoxy)methyl]-, 5-((2-hydroxyphenoxy)methyl)-2-furaldehyde, 5-((2-hydroxyphenoxy)methyl)furan-2-carbaldehyde, 2-furancarboxaldehyde, 5-((2-hydroxyphenoxy)methyl)- |
|---|---|
| Topological Polar Surface Area | 59.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 231.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGLWXHTXSWRORB-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -2.182 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.519 |
| Compound Name | 5-(2-Hydroxyphenoxymethyl)furfural |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6535395999999993 |
| Inchi | InChI=1S/C12H10O4/c13-7-9-5-6-10(16-9)8-15-12-4-2-1-3-11(12)14/h1-7,14H,8H2 |
| Smiles | C1=CC=C(C(=C1)O)OCC2=CC=C(O2)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Fistula (Plant) Rel Props:Source_db:cmaup_ingredients