IPB

5-METHYL-2-(1-METHYLETHYL)PHENOL

Created:	2000-03-13
Last modified:	2011-06-04

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4 entries where IPB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	6

2D diagram of IPB

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Chemical Component Summary
Name	5-METHYL-2-(1-METHYLETHYL)PHENOL
Systematic Name (OpenEye OEToolkits)	5-methyl-2-propan-2-yl-phenol
Formula	C₁₀ H₁₄ O
Molecular Weight	150.218
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1cc(ccc1C(C)C)C
SMILES	CACTVS	3.341	CC(C)c1ccc(C)cc1O
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)O)C(C)C
Canonical SMILES	CACTVS	3.341	CC(C)c1ccc(C)cc1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)O)C(C)C
InChI	InChI	1.03	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChIKey	InChI	1.03	MGSRCZKZVOBKFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02513
Name	Thymol
Groups	approved
Description	A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed)
Synonyms	IPMP 5-Methyl-2-(1-Methylethyl)Phenol 2-isopropyl-5-methylphenol Thymol
Brand Names	Marcs Original Antiseptic Eucalyptol, Menthol, Methyl salicylate, Thymol Hyvee Antiseptic Blue Mint Hyvee Antiseptic Original Quality Choice Sprng Mint Salonpas - Pls Top Nasal Jelly Thuna's Antiseptic Mouth Rinse - Liq Antispetic Mouth Rinse Pastilles Valda FLE Antibacterial Solution Listerine Gum Therapy Glacier Mint 365 Whole Foods Market Antigingivitis Mouthwash Listerine FreshBurst Antiseptic Cool Mint Antiseptic Mouthwash Common Colds Synergy ORAL-DENT Blue Mint Shopko Blue Mint Handy Solutions Cool Mint Listerine Antiseptic Mouthwash Vaporisateur Medicamente Giant Eagle Cool Burst Antiseptic Listerine Freshburst Antiseptic Oral Dent Amber Buenos Dias de Personna citrus flavour Marcs Blue Mint Antiseptic Mouthrinse Biocence Family Dollar Antiseptic Mouth Rinse Blue Mint Family Dollar Antiseptic Mouth Rinse Tartar control plus Quality Choice Blue Mint Natures Antibac Peppermint Discount Drug Mart Spring Mint Mouthwash Oral Dent Fresh Mint P.O.V. Sugarfree Forticept Antimicrobial Hydrogel Wound Dressing Aurora Blue Mint Tartar Control Plus Smart Sense Original Flavor Natures Antibac Orange Vanilla Listerine Gum Therapy Antiseptic Listerine Ultraclean Antiseptic Cool Mint Soft Mint Listerine Antiseptic CleanWell Natural Orange Vanilla Hand Sanitizer Rinse Hyvee Health Green Mint Sugar Free Family Wellness Blue Mint Green MINT Mouth Rinse Oral Dent Blue Mint Buenos Dias de Personna cool mint Antiseptic Blue Mint Prevasil Listerine Antiseptic Forticept Antimicrobial Gel Sinsinpap Cool Quality Choice Amber Giant Eagle Original Antiseptic LISTERINE Original Antiseptic Antiseptic Mouth rinse Ginger Bergamot Natural Antibacterial Foaming CleanWell Natural Original Hand Sanitizer Wipes Chronic Bronchitis Synergy Cresophene Liq Family Wellness Green Mint CleanWell Natural Antibacterial Foaming Orange Vanilla Smart Sense Blue Mint Antiseptic Lil Drug Store Products Kroger Cool Mint Boost Mouth Cool Pap Cataplasma Listerine Advanced with Tartar Protection Antiseptic Citrus Giant Eagle Cool Burst Mouthwash Eucalyptol, menthol, methyl salicylate, thymol Royal Mouthwash Fresh and Clean Original Mint Borasol Antiseptic Mouth Rinse Marcs Spring Mint Salonpas Medicated Plaster Valda Pastilles Thergy Giant Eagle Spring Fresh Antiseptic CleanWell Natural Orange Vanilla Hand Sanitizing Wipes Lipsorex-gel Oral Dent Citrus Aqua Blue Mouthwash Aurora Fresh Burst Tartar Control Benefect Natural Hand Sanitizer Advanced Citrus All Clear Antibacterial Solution 365 Whole Foods Market Anticavity/Antigingivitis Mouthwash CleanWell Natural Antibacterial Foaming Spearmint Lime Valda Pastilles Lemon Flavoured Lipsorex Plus Natures Antibac Lavender Advanced Antiseptic Buenos Dias de Personna original Hyvee Blue Mint Boil Ease Drawing Salve Ont Amber Mouth Wash - Liq Listerine Naturals Antiseptic P.O.V. Blue Mint Giant Eagle Spring Fresh Mouthwash Amber Mouth Rinse Smart Sense Citrus Mouthwash Hyvee Antiseptic Mint Mastic Dent Mouth Rinse Lipsorex - Gel Oral Care Antiseptic Anitseptic Mouth Rinse Eucalyptol, Menthol, Methyl Salicylate, Thymol Smart Sense Iceberg Blue Antiseptic Blue Mint Mouthwash Listerine Ultraclean Antiseptic Fresh Citrus Mouth Oral Shield Listerine Ultraclean Arctic Mint Lipsorex FLE Disinfectant Tartar control Giant Eagle Original Mouthwash Acne Vanish Synergy for treatment of Acnes Listerine Ultraclean Antiseptic Arctic Mint Smart Sense Spring Mint Listerine Naturals Antiseptic - Herbal Mint P.O.V. Spring Mint Advanced Antiseptic Citrus Carboseptol Listerine Cool Mint Antiseptic Amber Mouthwash - Liq Antiseptic Rinse Spring Mint Original Antiseptic Equate Tartar Control Plus Advanced Citrus Antiseptic Family Dollar Antiseptic Mouth Rinse Spring Mint Buenos Dias de Personna mint Shopko Ice Mint Being Well Antiseptic Prevasil ULTRA CARE LIP BALM Acute Bronchitis Synergy Family Wellness Original Amber DISCOUNT DRUG MART Original Flavor Mouthwash Antispetic Cleanwell Natural Antibacterial Foaming Lavender Family Wellness Ultra Mouthwash Antiseptic Rinse Peppermint Mouth Rinse Listerine Ultraclean Fresh Citrus Poly Interferent Mouthwas VigorWell Neuropathy Cream Discount Drug Mart Blue Mint Mouthwash Be Clean Influenza Care Synergy Handy Solutions Listerine Antiseptic Mouthwash Shopko Spring Mint Hyvee Health Cool Blue Sugar Free Natur 911
Categories	Anti-Infective Agents Anti-Infective Agents, Local Antifungal Agents Benzene Derivatives Monoterpenes Phenols Terpenes
CAS number	89-83-8

Related Resource References

Resource Name	Reference
Pharos	CHEMBL29411
PubChem	6989
ChEMBL	CHEMBL29411
ChEBI	CHEBI:27607
CCDC/CSD	IPMEPL, HUSTUN, WUTDEX, WUTDEX01, HUJQIP, HUSVAV, IPMEPL01, QANXAI, QANXAI01, QANXEM

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.