3,3',5-Trihydroxybibenzyl
PubChem CID: 21574990
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| Compound Synonyms | 3,3',5-Trihydroxybibenzyl, 86630-23-1, 5-[2-(3-hydroxyphenyl)ethyl]benzene-1,3-diol, 3,5,3'-Trihydroxybibenzyl, CHEBI:87804, 1,3-Benzenediol, 5-[2-(3-hydroxyphenyl)ethyl]-, DTXSID50615981, 5-(3-Hydroxyphenethyl)benzene-1,3-diol, 5-(2-(3-Hydroxyphenyl)ethyl)benzene-1,3-diol, 33'5-Trihydroxybibenzyl, CHEMBL479325, SCHEMBL8947211, DTXCID40566736, LDA63023, AKOS040762880, Q27159943 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 222.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UMZJVKFVOMTAFO-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -2.353 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.128 |
| Compound Name | 3,3',5-Trihydroxybibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 230.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 230.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.551283541176471 |
| Inchi | InChI=1S/C14H14O3/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-3,6-9,15-17H,4-5H2 |
| Smiles | C1=CC(=CC(=C1)O)CCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all