1-(4-Methoxyphenyl)propan-2-ol
PubChem CID: 169145
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| Compound Synonyms | 1-(4-methoxyphenyl)propan-2-ol, 30314-64-8, 1-(p-Methoxyphenyl)-2-propanol, 1-(4-methoxyphenyl)-2-propanol, Benzeneethanol, 4-methoxy-alpha-methyl-, DTXSID20952673, p-Methoxy-alpha-methyl-phenethyl alcohol, Phenethyl alcohol, p-methoxy-alpha-methyl-, (S)-1-(4-Methoxyphenyl)propan-2-ol, 1-(4-Methoxyphenyl)-2-propanol, 2-Hydroxy-1-(4-methoxyphenyl)propane, 2'-Hydroxy-p-propylanisole, p-Methoxy-alpha-methylphenethyl Alcohol, 4-Methoxy-alpha-methylbenzeneethanol, MFCD01708435, 4-methoxyphenylpropane-2-ol, SCHEMBL2428966, DTXCID701380753, 1-(4-Methoxyphenyl)-propan-2-ol, FBA31464, 4-Methoxy-OE+/--methylbenzeneethanol, AKOS000125848, AKOS016899393, HS-4082, SB84743, DB-180199, CS-0257864, EN300-68324, Z228586162, 817-110-7 |
|---|---|
| Ghose Rule | True |
| 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 |
| Deep Smiles | COcccccc6))CCO)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Phenylpropanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-methoxyphenyl)propan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | TXIWFQCAXKAOBZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1-(4-methoxyphenyl)-2-propanol |
| Esol Class | Soluble |
| Functional Groups | CO, cOC |
| Compound Name | 1-(4-Methoxyphenyl)propan-2-ol |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| 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/C10H14O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8,11H,7H2,1-2H3 |
| Smiles | CC(CC1=CC=C(C=C1)OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Limnophila Rugosa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643947