4-[(1E)-3-Ethenyl-7-methylocta-1,6-dien-1-yl]phenol
PubChem CID: 45358110
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| Compound Synonyms | 17015-60-0, 4-[(1E)-3-Ethenyl-7-methylocta-1,6-dien-1-yl]phenol, DTXSID20670022, AKOS015965361, AC-20188, DB-241560, 4-[(1E)-7-methyl-3-vinyl-1,6-octadien-1-yl]phenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(1E)-3-ethenyl-7-methylocta-1,6-dienyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C17H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HFGJBFLUJAGDTP-CMDGGOBGSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.19 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.445 |
| Compound Name | 4-[(1E)-3-Ethenyl-7-methylocta-1,6-dien-1-yl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 242.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.708711066666667 |
| Inchi | InChI=1S/C17H22O/c1-4-15(7-5-6-14(2)3)8-9-16-10-12-17(18)13-11-16/h4,6,8-13,15,18H,1,5,7H2,2-3H3/b9-8+ |
| Smiles | CC(=CCCC(C=C)/C=C/C1=CC=C(C=C1)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Source_db:cmaup_ingredients