2-Isopropyl-p-cresol
PubChem CID: 78153
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Isopropyl-4-methylphenol, 4427-56-9, 4-Methyl-2-isopropylphenol, 2-Isopropyl-p-cresol, Phenol, 4-methyl-2-(1-methylethyl)-, m-Cymen-4-ol, 4-methyl-2-propan-2-ylphenol, p-Cresol, 2-isopropyl-, Phenol, 2-isopropyl-4-methyl-, 1-Hydroxy-4-methyl-2-isopropylbenzene, RIM60IN3PY, EINECS 224-611-9, NSC 62110, 2-isopropyl-4-methyl-phenol, m-Cymen-6-ol, 4-Methyl-2-isopropylphenol (Isothymol), BRN 1860557, AI3-01514, MFCD00151522, NSC-62110, DTXSID2052104, 4-METHYL-2-(1-METHYLETHYL)PHENOL, UNII-RIM60IN3PY, m-Cymen-4-ol (8CI), SCHEMBL852892, CHEMBL2288299, DTXCID4030671, NSC62110, AKOS006282268, CS-W006880, DS-5182, MB00760, SY114698, DB-051204, NS00012725, Q27288134, 224-611-9, 4-Methyl-2-isopropylphenol (Isothymol), 2-Isopropyl-4-methylphenol, 2-Isopropyl-p-cresol, 4-Methyl-2-isopropylphenol, Isothymol |
|---|---|
| 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 | Ccccccc6)CC)C)))O |
| 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 | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-2-propan-2-ylphenol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DSTPUJAJSXTJHM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.4 |
| Logs | -2.133 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.279 |
| Synonyms | 4-methyl-2-isopropylphenol (isothymol) |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2-Isopropyl-p-cresol |
| Prediction Hob Swissadme | 1.0 |
| 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 |
| Esol | -3.0368065636363637 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3 |
| Smiles | CC1=CC(=C(C=C1)O)C(C)C |
| Nring | 1.0 |
| 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 Ajania Fruticulosa (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199903/04)14:2<112::aid-ffj786>3.0.co;2-1 - 2. Outgoing r'ship
FOUND_INto/from Duboisia Myoporoides (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pyrrosia Davidii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all