3-Methoxyphenethyl alcohol
PubChem CID: 78724
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| Compound Synonyms | 2-(3-Methoxyphenyl)ethanol, 5020-41-7, 3-Methoxyphenethyl alcohol, Benzeneethanol, 3-methoxy-, 2-(3-methoxyphenyl)ethan-1-ol, Phenethyl alcohol, m-methoxy-, m-Methoxyphenethyl alcohol, m-Methoxyphenylethanol, EINECS 225-705-2, MFCD00002893, 1-(2-Hydroxyethyl)-3-methoxybenzene, AI3-36527, 2-(3-Methoxy-phenyl)-ethanol, DTXSID90198243, NSC 55877, 3-methoxyphenethylalcohol, 2-(m-Methoxyphenyl)ethanol, 3-(2-Hydroxyethyl)anisole, SCHEMBL43521, 2-(3-methoxyphenyl)-ethanol, DTXCID20120734, 3-Methoxyphenethyl alcohol, 97%, CHEBI:194894, NSC55877, CK2455, NSC-55877, AKOS009156828, CS-W008146, DS-16544, SY025589, DB-071126, M2658, NS00032015, EN300-1250160, InChI=1/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H, 225-705-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylethanoids |
| Deep Smiles | OCCcccccc6)OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methoxyphenyl)ethanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | UPPGEJSCUZMCMW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 3-methoxyphenylethyl alcohol |
| Esol Class | Soluble |
| Functional Groups | CO, cOC |
| Compound Name | 3-Methoxyphenethyl alcohol |
| Exact Mass | 152.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 152.19 |
| 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/C9H12O2/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7,10H,5-6H2,1H3 |
| Smiles | COC1=CC=CC(=C1)CCO |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylethanoids (C6-C2) |
- 1. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1989.9697755