Phenol, 4-(3,7-dimethyl-3-ethenylocta-1,6-dienyl)-
PubChem CID: 5321439
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| Compound Synonyms | (Z/E)-DL-Bakuchiol, Phenol, 4-(3,7-dimethyl-3-ethenylocta-1,6-dienyl)-, 93998-10-8, NSC671195, SCHEMBL9903572, 4-[(1E)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol, LFYJSSARVMHQJB-WYMLVPIESA-N, AKOS016009521, NCGC00390469-01, 4-(3,7-Dimethyl-3-vinyl-1,6-octadienyl)phenol, 4-[(1E)-3,7-dimethyl-3-vinyl-octa-1,6-dienyl]phenol, (E)-4-(3,7-Dimethyl-3-vinylocta-1,6-dien-1-yl)phenol, 4-[(1E)-3,7-Dimethyl-3-vinyl-1,6-octadienyl]phenol # |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(1E)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol |
| Prediction Hob | 0.0 |
| Xlogp | 6.1 |
| Molecular Formula | C18H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFYJSSARVMHQJB-WYMLVPIESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.625 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.674 |
| Compound Name | Phenol, 4-(3,7-dimethyl-3-ethenylocta-1,6-dienyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 256.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.122896010526316 |
| Inchi | InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+ |
| Smiles | CC(=CCCC(C)(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