4-(3-(3-Hydroxyphenyl)propyl)-2,5-dimethoxyphenol
PubChem CID: 11323684
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| Compound Synonyms | 635757-62-9, 4-[3-(3-Hydroxyphenyl)propyl]-2,5-dimethoxyphenol, 4-(3-(3-Hydroxyphenyl)propyl)-2,5-dimethoxyphenol, CHEMBL468240, DTXSID501231087 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-(3-hydroxyphenyl)propyl]-2,5-dimethoxyphenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VVEFKXGAJMRBHV-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 4-(3-(3-Hydroxyphenyl)propyl)-2,5-dimethoxyphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.117883742857143 |
| Inchi | InChI=1S/C17H20O4/c1-20-16-11-15(19)17(21-2)10-13(16)7-3-5-12-6-4-8-14(18)9-12/h4,6,8-11,18-19H,3,5,7H2,1-2H3 |
| Smiles | COC1=CC(=C(C=C1CCCC2=CC(=CC=C2)O)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Source_db:cmaup_ingredients