Phenol, 2-[(1R,2S)-1,2-dimethyl-3-methylenecyclopentyl]-5-methyl-
PubChem CID: 11096028
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| Compound Synonyms | 63181-28-2, DTXSID70455068, Phenol, 2-[(1R,2S)-1,2-dimethyl-3-methylenecyclopentyl]-5-methyl-, 2-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-5-methylphenol, 2-((1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl)-5-methylphenol, Phenol, 2-((1R,2S)-1,2-dimethyl-3-methylenecyclopentyl)-5-methyl-, DTXCID30405887 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-5-methylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | TWNGKYVFHDFBJI-SWLSCSKDSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.282 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.285 |
| Compound Name | Phenol, 2-[(1R,2S)-1,2-dimethyl-3-methylenecyclopentyl]-5-methyl- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.013508799999999 |
| Inchi | InChI=1S/C15H20O/c1-10-5-6-13(14(16)9-10)15(4)8-7-11(2)12(15)3/h5-6,9,12,16H,2,7-8H2,1,3-4H3/t12-,15+/m0/s1 |
| Smiles | C[C@H]1C(=C)CC[C@@]1(C)C2=C(C=C(C=C2)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cymbidium Aloifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Delphinium Dictyocarpum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juniperus Serawschanica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ladeania Juncea (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ligularia Atroviolacea (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Peucedanum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Scutellaria Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Trifolium Pannonicum (Plant) Rel Props:Source_db:cmaup_ingredients