4-Flavanol
PubChem CID: 253959
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| Compound Synonyms | 4-Flavanol, 487-25-2, 2-Phenyl-4-chromanol, beta-4-Flavanol, flavan-4-ol, 2-phenyl-3,4-dihydro-2H-chromen-4-ol, .beta.-4-Flavanol, 2H-1-Benzopyran-4-ol,3,4-dihydro-2-phenyl-, NSC 77515, NSC77515, 2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-, 3,3-DIDEUTEROFLAVAN-4-OL, 4-Hydroxyflavan, 4-Flavonol, 2-phenylchroman-4-ol, 2-phenyl-chroman-4-ol, Maybridge3_005477, 2-Phenyl-4-chromanol #, Croman-4-ol, 2-phenyl-, Oprea1_092085, (2R,4R)-2-PHENYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-OL, SCHEMBL1267388, DTXSID60964098, YTMFRMLVZQOBDR-UHFFFAOYSA-N, HMS1446I21, NSC-77515, AKOS000126788, CCG-251196, IDI1_016864, DS-013286, 2H-1-Benzopyran-4-ol,4-dihydro-2-phenyl-, 2-PHENYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-OL, Q62007784 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-phenyl-3,4-dihydro-2H-chromen-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTMFRMLVZQOBDR-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.168 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.855 |
| Compound Name | 4-Flavanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.400257941176471 |
| Inchi | InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2 |
| Smiles | C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alhagi Maurorum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients