(5S)-3,8-Dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol
PubChem CID: 10220037
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| Compound Synonyms | 72943-94-3, (5S)-3,8-Dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol, 2-Naphthalenol, 5,6-dihydro-3,8-dimethyl-5-(1-methylethyl)-, (5S)-, CHEMBL452210, DTXSID40436905, 7-hydroxy-4alphaH-3,4-dihydrocadalene |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-3,8-dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YZHICMXANUYYLB-LBPRGKRZSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.483 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.998 |
| Compound Name | (5S)-3,8-Dimethyl-5-propan-2-yl-5,6-dihydronaphthalen-2-ol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9442087999999993 |
| Inchi | InChI=1S/C15H20O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,7-9,12,16H,6H2,1-4H3/t12-/m0/s1 |
| Smiles | CC1=CC[C@H](C2=C1C=C(C(=C2)C)O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heterotheca Grandiflora (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Heterotheca Inuloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all