2-(3-Methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol
PubChem CID: 333664
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 73215-04-0, CHEBI:67918, 2-(3-methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol, 4-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)phenol, NSC336381, PERITHALIA CAUDATA, CHEMBL251493, DTXSID00318814, NSC-336381, Q27136392 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(2-methylbut-3-en-2-yl)-2-(3-methylbut-2-enyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C16H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOZHPGWGKPWOGA-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -5.294 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.324 |
| Compound Name | 2-(3-Methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 230.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.692552670588235 |
| Inchi | InChI=1S/C16H22O/c1-6-16(4,5)14-9-10-15(17)13(11-14)8-7-12(2)3/h6-7,9-11,17H,1,8H2,2-5H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C(C)(C)C=C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lactuca Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhynchotechum Vestitum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Scutellaria Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all