4-[3-(3,4-Dihydroxyphenyl)prop-2-enyl]-5-prop-2-enylbenzene-1,2-diol
PubChem CID: 162863528
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 381.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[3-(3,4-dihydroxyphenyl)prop-2-enyl]-5-prop-2-enylbenzene-1,2-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PGHBBIGTSOOJFR-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -2.922 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.528 |
| Compound Name | 4-[3-(3,4-Dihydroxyphenyl)prop-2-enyl]-5-prop-2-enylbenzene-1,2-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 298.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.371531963636363 |
| Inchi | InChI=1S/C18H18O4/c1-2-4-13-10-17(21)18(22)11-14(13)6-3-5-12-7-8-15(19)16(20)9-12/h2-3,5,7-11,19-22H,1,4,6H2 |
| Smiles | C=CCC1=CC(=C(C=C1CC=CC2=CC(=C(C=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Coerulescens (Plant) Rel Props:Source_db:cmaup_ingredients