3-Hydroxy-4-methoxybenzyl alcohol
PubChem CID: 78089
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3-Hydroxy-4-methoxybenzyl alcohol, 4383-06-6, 5-(Hydroxymethyl)-2-methoxyphenol, Isovanillyl alcohol, 3-Hydroxy-4-methoxybenzylalcohol, Benzenemethanol, 3-hydroxy-4-methoxy-, MFCD00004644, DTXSID40195949, 4-Methoxy-3-hydroxy benzyl alcohol, EINECS 224-489-7, NSC 93802, NSC93802, SCHEMBL347472, 5-hydroxymethyl-2-methoxyphenol, CHEMBL1738713, DTXCID30118440, 3-hydroxy-4-methoxy-benzyl alcohol, CS-M0791, NSC-93802, 5-(Hydroxymethyl)-2-methoxyphenol #, AKOS000249585, DS-1156, FH42201, FS-3173, 3-Hydroxy-4-methoxybenzyl alcohol, 98%, SY006442, DB-014081, I0648, NS00049196, EN300-331747, Q984208, 224-489-7, 2A9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | OCcccccc6)O))OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(hydroxymethyl)-2-methoxyphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WHKRHBLAJFYZKF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | isovanillyl alcohol |
| Esol Class | Very soluble |
| Functional Groups | CO, cO, cOC |
| Compound Name | 3-Hydroxy-4-methoxybenzyl alcohol |
| Exact Mass | 154.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.16 |
| 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/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3 |
| Smiles | COC1=C(C=C(C=C1)CO)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Reference:ISBN:9788185042114