1-(3,4-Dimethoxyphenyl)propan-1-ol
PubChem CID: 2858607
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| Compound Synonyms | 1-(3,4-dimethoxyphenyl)propan-1-ol, 10548-83-1, 1-(3',4'-dimethoxyphenyl)-1-propanol, 1-(3,4-Dimethoxyphenyl)-1-propanol, alpha-ethylveratryl alcohol, DTXSID90386305, alpha-Ethyl-3,4-dimethoxybenzyl Alcohol, alpha-Ethylveratryl Alcohol, Ethylveratrylcarbinol, 1-Veratryl Propanol, , MFCD01117649, alpha-Ethyl-3,4-dimethoxybenzyl Alcohol, Cambridge id 5654626, CHEMBL454239, SCHEMBL6055371, 1-(3,4-dimethoxyphenyl)propanol, DTXCID40337327, NMYXSFKGIICIIM-UHFFFAOYSA-N, AKOS008968667, FD22211, SB84620, DB-258740, CS-0335503, Y14602, a-Ethyl-3,4-dimethoxybenzyl alcohol, a-Ethylveratryl alcohol, Ethylveratrylcarbinol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | CCCcccccc6)OC)))OC))))))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxybenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4-dimethoxyphenyl)propan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H16O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | NMYXSFKGIICIIM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | propan-1-ol,1-(3,4-dimethoxy phenyl) |
| Esol Class | Soluble |
| Functional Groups | CO, cOC |
| Compound Name | 1-(3,4-Dimethoxyphenyl)propan-1-ol |
| Exact Mass | 196.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H16O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9,12H,4H2,1-3H3 |
| Smiles | CCC(C1=CC(=C(C=C1)OC)OC)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
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