4-Isopropylanisole
PubChem CID: 77783
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| Compound Synonyms | 4-Isopropylanisole, 4132-48-3, 1-Isopropyl-4-methoxybenzene, 4-Methoxycumene, p-Isopropylanisole, Anisole, p-isopropyl-, 1-methoxy-4-propan-2-ylbenzene, p-Methoxycumene, p-Methoxyisopropylbenzene, Benzene, 1-methoxy-4-(1-methylethyl)-, 4ZHK779KMX, 1-methoxy-4-(1-methylethyl)benzene, EINECS 223-952-0, MFCD00015033, ANISOLE, 4-ISOPROPYL-, 4-METHOXYISOPROPYLBENZENE, DTXSID60194292, 1-methoxy-4-(propan-2-yl)benzene, 2-(4-Methoxyphenyl)propane, 4-Isopropylanisole, 95%, 4-Isopropylanisole, 97%, UNII-4ZHK779KMX, 2-(p-Methoxyphenyl)propane, PARA-ISOPROPYLANISOLE, SCHEMBL84040, 4-isopropyl-1-methoxybenzene, 1-isopropyl-4-methoxy benzene, 1-Isopropyl-4-methoxybenzene #, SCHEMBL12015215, DTXCID70116783, 4-(1-methylethyl)-1-methoxybenzene, AKOS008952505, PS-5749, CS-0154278, I0588, NS00030965, EN300-188707, Q63409179, InChI=1/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H, 223-952-0 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | COcccccc6))CC)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cumenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-propan-2-ylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | JULZQKLZSNOEEJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | p-isopropyl anisole, p-isopropylanisole |
| Esol Class | Soluble |
| Functional Groups | cOC |
| Compound Name | 4-Isopropylanisole |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| 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/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3 |
| Smiles | CC(C)C1=CC=C(C=C1)OC |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cupressus Sempervirens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1993.9698304