4-Isopropylphenol
PubChem CID: 7465
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| Compound Synonyms | 4-Isopropylphenol, 99-89-8, P-ISOPROPYLPHENOL, p-Cumenol, Australol, 4-(1-Methylethyl)phenol, Phenol, 4-(1-methylethyl)-, 1-Hydroxy-4-isopropylbenzene, 4-(Propan-2-Yl)Phenol, 4-propan-2-ylphenol, para-isopropylphenol, 4-Hydroxycumene, Phenol, p-isopropyl-, Prodox 133, 4-iso-Propylphenol, 4-Isopropyl phenol, 4-Isopropyl-phenol, NSC 1888, p-hydroxycumene, p-ISOPROPYL PHENOL, EINECS 202-798-8, BRN 1363564, DTXSID5042299, 9F59JOO816, NSC-1888, MFCD00002372, ISOPROPYLPHENOL, P-, Phenol, (1-methylethyl)-, DTXCID3022299, CHEBI:167172, 4-06-00-03215 (Beilstein Handbook Reference), PROPOFOL IMPURITY H [EP IMPURITY], P-Cuminol, PROPOFOL IMPURITY H (EP IMPURITY), pCumenol, pIsopropylphenol, UNII-9F59JOO816, 4-(1-Methylethyl)phenol, Propofol Imp. H (EP), Propofol Impurity H, paraisopropylphenol, Phenol, pisopropyl, phenol, 4-isopropyl-, 4(1Methylethyl)phenol, 1Hydroxy4isopropylbenzene, Phenol, 4(1methylethyl), 4-Isopropylphenol, 98%, SCHEMBL28954, CHEMBL29966, SCHEMBL8987962, WLN: QR DY1 & 1, NSC1888, HMS1789L08, STR08167, Tox21_301323, STL183327, AKOS000121483, CAS-99-89-8, NCGC00255837-01, NCGC00337683-01, PD065569, CS-0020286, I0262, NS00012766, EN300-16601, D72532, AB01329173-02, AE-562/43459027, Q27272471, Z56347200, F0001-2340, 202-798-8, H3Z |
|---|---|
| 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, Monocyclic monoterpenoids |
| Deep Smiles | CCcccccc6))O)))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Occurs in oil of Eucalyptus species [CCD]. p-Isopropylphenol is found in cumin. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cumenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-propan-2-ylphenol |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Superclass | Benzenoids |
| Subclass | Cumenes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | YQUQWHNMBPIWGK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-Hydroxy-4-isopropylbenzene, 4-(1-Methylethyl)phenol, 4-Isopropyl phenol, Australol, P-cumenol, P-cuminol, P-isopropyl phenol, Para-isopropylphenol, 4-Hydroxycumene, p-Cumenol, p-Hydroxycumene, 4-Isopropyl-phenol, 4-Isopropylphenol, P-Cuminol, P-Isopropyl phenol, p-Isopropylphenol, 4-Isopropylphenol sodium, 4-Isopropylphenol, cobalt (2+) salt, p-isopropylphenol |
| Substituent Name | Phenylpropane, Cumene, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 4-Isopropylphenol |
| Kingdom | Organic compounds |
| Exact Mass | 136.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 136.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3 |
| Smiles | CC(C)C1=CC=C(C=C1)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cumenes |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cuminum Cyminum (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Moluccana (Plant) Rel Props:Reference:ISBN:9788185042114 - 3. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199907/08)14:4<225::aid-ffj818>3.0.co;2-1