4-Methoxyphenethyl alcohol
PubChem CID: 69705
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| Compound Synonyms | 4-Methoxyphenethyl alcohol, 2-(4-Methoxyphenyl)ethanol, 702-23-8, 4-Methoxybenzeneethanol, Benzeneethanol, 4-methoxy-, p-Methoxyphenethyl alcohol, 2-(4-Methoxyphenyl)Ethan-1-Ol, 2-(p-Anisyl)ethanol, 3MWL5NZE9K, 2-(p-Methoxyphenyl)ethanol, 4-methoxyphenethanol, DTXSID5041518, 2-(p-Methoxyphenyl)ethyl alcohol, EINECS 211-866-6, MFCD00002900, 1-methoxy-4-(2-hydroxyethyl)benzene, NSC 408325, NSC-408325, 2-(4-methoxyphenyl)-ethanol, AI3-05522, 2-(4-Methoxy-phenyl)-ethanol, DTXCID3021518, METHOXYBENZENEETHANOL, 4-, PHENETHYL ALCOHOL, P-METHOXY-, P-(METHOXYPHENYL)ETHYL ALCOHOL, .BETA.-(P-METHOXYPHENYL)ETHANOL, 2-(4-METHOXYPHENYL)-1-ETHANOL, UNII-3MWL5NZE9K, 4-Methoxybenzenethanol, p-Methoxy-phenethyl alcohol, p-Methoxyphenylethyl alcohol, 4-(2-Hydroxyethyl)anisole, 4-methoxy-phenethyl alcohol, SCHEMBL77472, CHEMBL412890, 2-(p-methoxyphenyl)-ethan-1-ol, 4-Methoxyphenethyl alcohol, 99%, 4-Methoxy-.beta.-phenethyl alcohol, Tox21_300755, BBL027411, BETA-(P-METHOXYPHENYL)ETHANOL, NSC408325, STL373550, AKOS000280348, AB00284, CS-W004056, FM25329, HY-W004056, NCGC00248159-01, NCGC00254660-01, CAS-702-23-8, DS-14311, PD166617, SY014083, DB-074275, M0889, NS00037023, EN300-133027, A836808, Q27257678, F0001-1817, Z397587494, 211-866-6 |
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| 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 | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Tyrosols and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.7 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methoxyphenyl)ethanol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | AUWDOZOUJWEPBA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-(4-methoxy-phenyl)-ethanol, 2-(4-methoxyphenyl)ethanol, 4-methoxyphenethyl alcohol |
| Esol Class | Very soluble |
| Functional Groups | CO, cOC |
| Compound Name | 4-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/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5,10H,6-7H2,1H3 |
| Smiles | COC1=CC=C(C=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 Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0 - 2. Outgoing r'ship
FOUND_INto/from Mimusops Elengi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698425 - 3. Outgoing r'ship
FOUND_INto/from Osmanthus Fragrans (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644128 - 4. Outgoing r'ship
FOUND_INto/from Premna Serratifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700905