(2R)-5-Hydroxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
PubChem CID: 68811894
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| Compound Synonyms | 827313-95-1, (R)-5-Hydroxy-2-phenylchroman-4-one, (2R)-5-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one, SCHEMBL3846047, DTXSID90739079, (2R)-5-Hydroxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CRWQDRUCLPDWEK-CQSZACIVSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.919 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.974 |
| Compound Name | (2R)-5-Hydroxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9745329333333332 |
| Inchi | InChI=1S/C15H12O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-8,14,16H,9H2/t14-/m1/s1 |
| Smiles | C1[C@@H](OC2=CC=CC(=C2C1=O)O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Lutea (Plant) Rel Props:Source_db:cmaup_ingredients