4-Hydroxybenzyl
PubChem CID: 145156
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| Compound Synonyms | 4-Hydroxybenzyl, 4-OH-benzyl |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | [CH2]cccccc6))O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.8 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | ZVEWFTICTSQBDM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | p-hydroxybenzyl |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 4-Hydroxybenzyl |
| Exact Mass | 107.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 107.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 107.13 |
| 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/C7H7O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H2 |
| Smiles | [CH2]C1=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
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