3-(4-hydroxyphenyl)propyl Acetate
PubChem CID: 187242
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-(4-hydroxyphenyl)propyl Acetate, 80373-18-8, Benzenepropanol, 4-hydroxy-, 1-acetate, 4-Hydroxybenzenepropanol alpha-acetate, TUU2HJT3FU, DTXSID901001195, AKOS030255038, 4-Hydroxybenzenepropanol a-Acetate, 4-Hydroxybenzenepropanol 1-Acetate |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CC=O)OCCCcccccc6))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxyphenyl)propyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H14O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UARIKUWXCSCJBL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-(4-hydroxyphenyl)-propyl acetate |
| Esol Class | Soluble |
| Functional Groups | COC(C)=O, cO |
| Compound Name | 3-(4-hydroxyphenyl)propyl Acetate |
| Exact Mass | 194.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 194.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H14O3/c1-9(12)14-8-2-3-10-4-6-11(13)7-5-10/h4-7,13H,2-3,8H2,1H3 |
| Smiles | CC(=O)OCCCC1=CC=C(C=C1)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701025