2-Hydroxy-6-(12-Phenyldodecyl)Benzoic Acid
PubChem CID: 14655079
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| Compound Synonyms | 2-hydroxy-6-(12-phenyldodecyl)benzoic acid, 76261-17-1, DTXSID80562656, CHEMBL479327, DTXCID90513432, 2-Hydroxy-6-(12-phenyldodecyl)benzoate |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-(12-phenyldodecyl)benzoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 9.3 |
| Molecular Formula | C25H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYAGAWGPLSSYQI-UHFFFAOYSA-N |
| Fcsp3 | 0.48 |
| Logs | -3.466 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.513 |
| Compound Name | 2-Hydroxy-6-(12-Phenyldodecyl)Benzoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 382.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.451315657142856 |
| Inchi | InChI=1S/C25H34O3/c26-23-20-14-19-22(24(23)25(27)28)18-13-8-6-4-2-1-3-5-7-10-15-21-16-11-9-12-17-21/h9,11-12,14,16-17,19-20,26H,1-8,10,13,15,18H2,(H,27,28) |
| Smiles | C1=CC=C(C=C1)CCCCCCCCCCCCC2=C(C(=CC=C2)O)C(=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 - 2. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all