5-(10-Phenyldecyl)benzene-1,3-diol
PubChem CID: 44575634
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| Compound Synonyms | 5-(10-PHENYLDECYL)BENZENE-1,3-DIOL, 76261-20-6, DTXSID80659530, CHEMBL479019, 5-(10'-phenyldecyl)-resorcinol, DTXCID50610279 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(10-phenyldecyl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.8 |
| Molecular Formula | C22H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOAKROJPUDWPEL-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -3.81 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.532 |
| Compound Name | 5-(10-Phenyldecyl)benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 326.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.396976 |
| Inchi | InChI=1S/C22H30O2/c23-21-16-20(17-22(24)18-21)15-9-6-4-2-1-3-5-8-12-19-13-10-7-11-14-19/h7,10-11,13-14,16-18,23-24H,1-6,8-9,12,15H2 |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCC2=CC(=CC(=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all