5-[3-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol
PubChem CID: 56928073
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| Compound Synonyms | C09524, DTXSID90718884, AKOS032948239, 5-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol, 5-{3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propyl}benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C20H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTNHTFRNGHVXBF-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -3.378 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.041 |
| Compound Name | 5-[3-[4-Hydroxy-3-(3-methylbut-2-enyl)phenyl]propyl]benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.257222756521739 |
| Inchi | InChI=1S/C20H24O3/c1-14(2)6-8-17-10-15(7-9-20(17)23)4-3-5-16-11-18(21)13-19(22)12-16/h6-7,9-13,21-23H,3-5,8H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)CCCC2=CC(=CC(=C2)O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients