2,4-Dimethoxy-5-[(S)-1-phenyl-2-propenyl]phenol
PubChem CID: 44559636
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| Compound Synonyms | 2,4-Dimethoxy-5-[(S)-1-phenyl-2-propenyl]phenol, (-)-Dalbergiphenol, CHEMBL451345, CCA81131, HDA35844, 2,4-dimethoxy-5-(1-phenylallyl)phenol |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dimethoxy-5-(1-phenylprop-2-enyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C17H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLLCQEPKLKMZKP-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.349 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.47 |
| Compound Name | 2,4-Dimethoxy-5-[(S)-1-phenyl-2-propenyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 270.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1689336 |
| Inchi | InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3 |
| Smiles | COC1=CC(=C(C=C1C(C=C)C2=CC=CC=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients