4-Isopropyl-2-methylphenol
PubChem CID: 74446
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| Compound Synonyms | 4-Isopropyl-2-methylphenol, 1740-97-2, 4-Isopropyl-o-cresol, 2-methyl-4-propan-2-ylphenol, Phenol, 2-methyl-4-(1-methylethyl)-, 4-Isopropyl-2-methyl-phenol, 41Y0OLM4LN, EINECS 217-105-4, UNII-41Y0OLM4LN, MFCD16997163, SCHEMBL1397101, phenol, 4-isopropyl-2-methyl-, DTXSID80169745, CS-B1162, GS2742, AKOS017516081, MB22526, 2-METHYL-4-(PROPAN-2-YL)PHENOL, DA-39274, NS00025721, F14410, Q27258472 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCcccccc6)C))O)))))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 | 120.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-4-propan-2-ylphenol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | WYXXLXHHWYNKJF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 4-isopropyl-2-methyl (=isocarvacrol) |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 4-Isopropyl-2-methylphenol |
| 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/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3 |
| Smiles | CC1=C(C=CC(=C1)C(C)C)O |
| 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 Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698713