7-(Hydroxymethyl)-2,2-dimethylchromen-5-ol
PubChem CID: 11579345
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| Compound Synonyms | CHEMBL3609155 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 260.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-(hydroxymethyl)-2,2-dimethylchromen-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C12H14O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VTUYPAXWMWFWHO-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.789 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.685 |
| Compound Name | 7-(Hydroxymethyl)-2,2-dimethylchromen-5-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 206.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 206.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3566941999999997 |
| Inchi | InChI=1S/C12H14O3/c1-12(2)4-3-9-10(14)5-8(7-13)6-11(9)15-12/h3-6,13-14H,7H2,1-2H3 |
| Smiles | CC1(C=CC2=C(C=C(C=C2O1)CO)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nigella Glandulifera (Plant) Rel Props:Source_db:cmaup_ingredients