4-[3-(4-Hydroxyphenyl)propyl]resorcinol
PubChem CID: 10900865
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| Compound Synonyms | 4'-O-Demethylbroussonin A, 376361-97-6, 4-[3-(4-Hydroxyphenyl)propyl]resorcinol, 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol, CHEMBL453448, SCHEMBL6822966, AKOS040761148, CS-0149382, InChI=1/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P11511 |
| Iupac Name | 4-[3-(4-hydroxyphenyl)propyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKSKNGMIUSMMMM-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.642 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.211 |
| Compound Name | 4-[3-(4-Hydroxyphenyl)propyl]resorcinol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4046313333333327 |
| Inchi | InChI=1S/C15H16O3/c16-13-7-4-11(5-8-13)2-1-3-12-6-9-14(17)10-15(12)18/h4-10,16-18H,1-3H2 |
| Smiles | C1=CC(=CC=C1CCCC2=C(C=C(C=C2)O)O)O |
| 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;npass_chem_all