(2R)-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
PubChem CID: 71713832
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 306.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(2-phenylethyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSZHKARAUAIUIV-CQSZACIVSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.815 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.562 |
| Compound Name | (2R)-2-(2-phenylethyl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0425090210526315 |
| Inchi | InChI=1S/C17H16O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,14H,10-12H2/t14-/m1/s1 |
| Smiles | C1[C@H](OC2=CC=CC=C2C1=O)CCC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients