5-Methyl-2-(6-methylhept-5-en-2-yl)phenol
PubChem CID: 122836
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| Compound Synonyms | 5-methyl-2-(6-methylhept-5-en-2-yl)phenol, SCHEMBL16749879, BTXSROVNGICYFE-UHFFFAOYSA-N, Phenol, 2-(1,5-dimethyl-4-hexenyl)-5-methyl-, (R)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 228.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-(6-methylhept-5-en-2-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTXSROVNGICYFE-UHFFFAOYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.411 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.669 |
| Compound Name | 5-Methyl-2-(6-methylhept-5-en-2-yl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.527307999999999 |
| Inchi | InChI=1S/C15H22O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,8-10,13,16H,5,7H2,1-4H3 |
| Smiles | CC1=CC(=C(C=C1)C(C)CCC=C(C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all