2-Hydroxybenzyl benzoate
PubChem CID: 12731045
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| Compound Synonyms | 2-hydroxybenzyl benzoate, SCHEMBL336833, CHEMBL4469139, benzoic acid (2-hydroxyphenyl)-methyl ester |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-hydroxyphenyl)methyl benzoate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C14H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLKAKOQQZSQWMO-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 2-Hydroxybenzyl benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 228.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 228.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7877843411764704 |
| Inchi | InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)10-17-14(16)11-6-2-1-3-7-11/h1-9,15H,10H2 |
| Smiles | C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients