(R)-Bakuchiol
PubChem CID: 49836433
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| Compound Synonyms | (R)-Bakuchiol, 1020108-62-6, s3813, CCG-267026 |
|---|---|
| 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 | 1.0 |
| Iupac Name | 4-[(1E,3R)-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-SZEUEKNRSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.802 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.482 |
| Compound Name | (R)-Bakuchiol |
| 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+/t18-/m0/s1 |
| Smiles | CC(=CCC[C@](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