2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5-triol
PubChem CID: 90470576
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| Compound Synonyms | 25375-34-2, 3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-3,4,5-triol |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FQIDJQGHFXTFEN-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.155 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.496 |
| Compound Name | 2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5-triol |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5610864 |
| Inchi | InChI=1S/C15H14O5/c16-9-6-4-8(5-7-9)15-14(19)13(18)12-10(17)2-1-3-11(12)20-15/h1-7,13-19H |
| Smiles | C1=CC(=C2C(C(C(OC2=C1)C3=CC=C(C=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Fistula (Plant) Rel Props:Source_db:cmaup_ingredients