2-chloro-4,5-dimethylphenol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- 2-chloro-4,5-dimethylphenol
- DrugBank Accession Number
- DB15658
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 156.61
Monoisotopic: 156.0341926 - Chemical Formula
- C8H9ClO
- Synonyms
- 2-Chloro-4,5-dimethylphenol
- 2-Chloro-4,5-xylenol
- 3,4-Dimethyl-6-chlorophenol
- 6-Chloro-3,4-xylenol
- Banol phenol
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Antibacterial Hand Sanitizer Liquid 1.5 mg/500mL Extracorporeal Wuxi Yongning Daily Chemical Factory 2020-03-29 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Antibacterial Hand Sanitizer 2-chloro-4,5-dimethylphenol (1.5 mg/500mL) Liquid Extracorporeal Wuxi Yongning Daily Chemical Factory 2020-03-29 Not applicable US
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 601F79M480
- CAS number
- 1124-04-5
- InChI Key
- PSOJLBXHRBFLLQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H9ClO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,1-2H3
- IUPAC Name
- 2-chloro-4,5-dimethylphenol
- SMILES
- CC1=CC(O)=C(Cl)C=C1C
References
- General References
- Not Available
- External Links
- ChemSpider
- 63919
- 2286250
- ChEMBL
- CHEMBL3183654
- ZINC
- ZINC000000404321
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Extracorporeal 1.5 mg/500mL - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.646 mg/mL ALOGPS logP 3.19 ALOGPS logP 3.3 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 8.41 Chemaxon pKa (Strongest Basic) -6.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 42.93 m3·mol-1 Chemaxon Polarizability 16.13 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4r-0900000000-abd25438023c2d43c83b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a59-6900000000-89334900f9f1ce377754 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-913054e2d17cfd2062b7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-002u-3900000000-f86b63df394332f28093 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-3c3161ad889ee8d2b7f6 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0v03-9200000000-cc25d86a6db18e9c352c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 126.2382616 predictedDarkChem Lite v0.1.0 [M-H]- 128.23656 predictedDeepCCS 1.0 (2019) [M+H]+ 127.1489616 predictedDarkChem Lite v0.1.0 [M+H]+ 131.61424 predictedDeepCCS 1.0 (2019) [M+Na]+ 126.4618616 predictedDarkChem Lite v0.1.0 [M+Na]+ 140.75868 predictedDeepCCS 1.0 (2019)
Drug created at April 03, 2020 14:59 / Updated at June 12, 2020 16:53