CAS 89-68-9 | 4-Chloro-2-isopropyl-5-methylphenol | CAS Number 89-68-9

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89-68-9 | 4-Chloro-2-isopropyl-5-methylphenol

CAS No: 89-68-9 Catalog No: AG003L3H MDL No:MFCD00002326

Product Description

Catalog Number:

AG003L3H

Chemical Name:

4-Chloro-2-isopropyl-5-methylphenol

CAS Number:

89-68-9

Molecular Formula:

C10H13ClO

Molecular Weight:

184.6626

MDL Number:

MFCD00002326

IUPAC Name:

4-chloro-5-methyl-2-propan-2-ylphenol

InChI:

InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3

InChI Key:

KFZXVMNBUMVKLN-UHFFFAOYSA-N

SMILES:

CC(c1cc(Cl)c(cc1O)C)C

EC Number:

201-930-1

UNII:

LJ25TI0CVT

Properties

Complexity:

147

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.663g/mol

Monoisotopic Mass:

184.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

Literature

Title	Journal
Carvacrol, a food-additive, provides neuroprotection on focal cerebral ischemia/reperfusion injury in mice.	PloS one 20120101
Lipophilicity of some GABAergic phenols and related compounds determined by HPLC and partition coefficients in different systems.	Journal of pharmaceutical and biomedical analysis 20090405
Acaricidal activities of some essential oils and their monoterpenoidal constituents against house dust mite, Dermatophagoides pteronyssinus (Acari: Pyroglyphidae).	Journal of Zhejiang University. Science. B 20061201
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Final report on the safety assessment of sodium p-chloro-m-cresol, p-chloro-m-cresol, chlorothymol, mixed cresols, m-cresol, o-cresol, p-cresol, isopropyl cresols, thymol, o-cymen-5-ol, and carvacrol.	International journal of toxicology 20060101
Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.	Environmental health perspectives 20010201