2-Isopropylphenol
PubChem CID: 6943
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| Compound Synonyms | 2-Isopropylphenol, 88-69-7, O-ISOPROPYLPHENOL, o-Hydroxycumene, ISOPROPYLPHENOL, 2-(1-Methylethyl)phenol, o-Cumenol, Phenol, o-isopropyl-, 1-Hydroxy-2-isopropylbenzene, 2-propan-2-ylphenol, Phenol, 2-(1-methylethyl)-, 2-(propan-2-yl)phenol, Prodox 131, ISOPROPYLPHENOL, ORTHO, 1-Hydroxy-3-isopropylbenzene, Cumenol, o-, Isopropylphenol, o-, ortho-isopropylphenol, 2-Hydroxycumene, FEMA No. 3461, 2-Isopropyl phenol, 2-Isopropyl-Phenol, NSC 5103, 25168-06-3, isopropyl-phenol, o-isopropyl-phenol, EINECS 201-852-8, UNII-B2899Z0Q2U, BRN 1363322, DTXSID2044391, CHEBI:38506, AI3-18550, B2899Z0Q2U, NSC-5103, MFCD00002224, 2-(1-Methylethyl)-Phenol, ISOPROPYLPHENOL, 2-, CHEMBL30018, DTXCID0024391, 2-(1-Methylethyl)phenol, 9CI, FEMA 3461, 2-ISOPROPYLPHENOL [FHFI], 4-06-00-03210 (Beilstein Handbook Reference), PROPOFOL IMPURITY C [EP IMPURITY], METACRESOL IMPURITY H [EP IMPURITY], cumenol, PROPOFOL IMPURITY C (EP IMPURITY), METACRESOL IMPURITY H (EP IMPURITY), oHydroxycumene, oCumenol, oIsopropylphenol, isopropyl phenol, oIsopropyl phenol, 2-(1-Methylethyl)phenol, Propofol Imp. C (EP), Propofol Impurity C, 2isopropyl phenol, Cumenol, o, Isopropylphenol, o, Phenol, oisopropyl, 0-isopropyl phenol, 2-iso-propylphenol, Phenol, isopropyl-, ortho-isopropyl phenol, phenol, 2-isopropyl-, 2(1Methylethyl)phenol, 1Hydroxy2isopropylbenzene, Phenol, 2(1methylethyl), 2-Isopropylphenol, 98%, UNII-7UD6MUG48S, 7UD6MUG48S, SCHEMBL43297, SCHEMBL8988162, NSC5103, 3f36, 2-Isopropylphenol, >=98%, FG, EINECS 246-699-8, Tox21_302062, BDBM50409533, STL453618, AKOS000120752, FI35506, CAS-88-69-7, NCGC00255940-01, BP-10159, PD055451, I0173, NS00021381, EN300-20953, G77227, Q27117882, F0001-2189, Z104485440, 201-852-8, IP0 |
|---|---|
| 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 | CCcccccc6O)))))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Flavouring ingredient |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cumenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 98.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-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 | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Synonyms | 1-Hydroxy-2-isopropylbenzene, 1-Hydroxy-3-isopropylbenzene, 2-(1-Methylethyl)-phenol, 2-(1-Methylethyl)phenol, 2-(1-Methylethyl)phenol, 9CI, 2-(propan-2-yl)phenol, Cumenol, o-, FEMA 3461, Isopropyl-phenol, Isopropylphenol, o-, Isopropylphenol, ortho, O-cumenol, o-Hydroxycumene, O-Isopropyl-phenol, O-isopropylphenol, Ortho-isopropylphenol, Phenol, 2-(1-methylethyl)-, Phenol, isopropyl-, Phenol, o-isopropyl-, Prodox 131, O-Cumenol, O-Hydroxycumene, O-Isopropylphenol, 2-(1-Methylethyl)phenol, 9ci, 2-(Propan-2-yl)phenol, 2-isopropylphenol, phenol,2-isopropyl |
| Substituent Name | Phenylpropane, Cumene, Phenol, Hydrocarbon derivative, Organooxygen compound, Aromatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 2-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)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 |
| Smiles | CC(C)C1=CC=CC=C1O |
| 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 Ginkgo Biloba (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Seriphidium Brevifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698005