3,4-Dimethylphenol
PubChem CID: 7249
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| Compound Synonyms | 3,4-DIMETHYLPHENOL, 95-65-8, 3,4-Xylenol, Phenol, 3,4-dimethyl-, 4,5-Dimethylphenol, 1,3,4-Xylenol, 3,4-Dimethyl phenol, 1-Hydroxy-3,4-dimethylbenzene, 4-Hydroxy-1,2-dimethylbenzene, 3,4-DMP, 3,4-dimethyl-phenol, FEMA No. 3596, 4-Hydroxy-o-xylene, NSC 1549, CCRIS 723, 1,2-Dimethyl-4-hydroxybenzene, HSDB 5294, EINECS 202-439-5, BRN 1099267, DTXSID4024062, 3, 4-Xylenol, CHEBI:39839, AI3-01552, 1,2,4-Xylenol, 4L479F5JU6, NSC-1549, 3,4-Xylenol, 8CI, 3,4-XYLENOL [FHFI], DTXCID004062, FEMA 3596, 1-Hydroxy-3, 4-dimethylbenzene, EC 202-439-5, XYLENOL 3,4-DIMETHYLPHENOL, 3,4-DIMETHYLPHENOL [HSDB], 4-06-00-03099 (Beilstein Handbook Reference), XYLENOL 3,4-DIMETHYLPHENOL [MI], METACRESOL IMPURITY L [EP IMPURITY], CAS-95-65-8, 2MP, METACRESOL IMPURITY L (EP IMPURITY), UNII-4L479F5JU6, 4,5Dimethylphenol, MFCD00002304, 1,4-Xylenol, 1,3,4Xylenol, 3,4--Xylenol, Phenol, 3,4dimethyl, AS-O-XYLENOL, O-4-XYLENOL, 1Hydroxy3,4dimethylbenzene, 4Hydroxy1,2dimethylbenzene, 3,4-Dimethylphenol (1), 3,4-Dimethylphenol, 98%, SCHEMBL125704, WLN: QR C1 D1, 3,4DMP, CHEMBL192008, NSC1549, BDBM238309, 3,4-Xylenol, >=98%, FG, STR06236, Tox21_201523, Tox21_300185, STL570694, AKOS000119349, DB04052, NCGC00091845-01, NCGC00091845-02, NCGC00091845-03, NCGC00253983-01, NCGC00259073-01, AC-10834, PD006522, DB-003356, D0777, NS00003137, EN300-20195, 3,4-Dimethylphenol 100 microg/mL in Methanol, E78877, Q4634081, 3,4-Dimethylphenol, PESTANAL(R), analytical standard, F0001-2276, Z104477218, 202-439-5 |
|---|---|
| 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 |
| Deep Smiles | Occcccc6)C))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Cresols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.6 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dimethylphenol |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.2 |
| Superclass | Benzenoids |
| Subclass | Cresols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H10O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | YCOXTKKNXUZSKD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 1,2-Dimethyl-4-hydroxybenzene, 1,3,4-Xylenol, 3,4-DMP, 4,5-Dimethylphenol, 4-Hydroxy-1,2-dimethylbenzene, 1,2,4-Xylenol, 1-Hydroxy-3, 4-dimethylbenzene, 1-Hydroxy-3,4-dimethylbenzene, 3, 4-Xylenol, 3,4-Dimethyl phenol, 3,4-Dimethyl-phenol, 3,4-Xylenol, 3,4-Xylenol, 8ci, 4-Hydroxy-O-xylene, Asym-O-xylenol, FEMA 3596, 3,4-Dimethylphenol, potassium salt, 3,4-Dimethylphenol, sodium salt, 3,4-Dimethylphenol, 3.4-xylenol |
| Esol Class | Soluble |
| Functional Groups | cO |
| Compound Name | 3,4-Dimethylphenol |
| Kingdom | Organic compounds |
| Exact Mass | 122.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 122.16 |
| 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/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 |
| Smiles | CC1=C(C=C(C=C1)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Para cresols |
- 1. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1404497