2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
PubChem CID: 13965283
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | FQEXRDMYDXBXEO-VIFPVBQESA-N |
| Fcsp3 | 0.6 |
| Logs | -0.797 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.543 |
| Compound Name | 2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8581694 |
| Inchi | InChI=1S/C10H16O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-6,9,11H,7H2,1-3H3/t9-/m0/s1 |
| Smiles | CC1=CC[C@H](C=C1)C(C)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients