5-(12-Phenyldodecyl)benzene-1,3-diol
PubChem CID: 44575635
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| Compound Synonyms | CHEMBL516904 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(12-phenyldodecyl)benzene-1,3-diol |
| Prediction Hob | 0.0 |
| Xlogp | 8.8 |
| Molecular Formula | C24H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LBWBDHYIXVJYGM-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.77 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.701 |
| Compound Name | 5-(12-Phenyldodecyl)benzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 354.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.0908492615384615 |
| Inchi | InChI=1S/C24H34O2/c25-23-18-22(19-24(26)20-23)17-11-8-6-4-2-1-3-5-7-10-14-21-15-12-9-13-16-21/h9,12-13,15-16,18-20,25-26H,1-8,10-11,14,17H2 |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCCCC2=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