CAS 2217-60-9 | 2-methyl-5-propan-2-ylbenzene-1,4-diol | CAS Number 2217-60-9

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2217-60-9 | 2-methyl-5-propan-2-ylbenzene-1,4-diol

CAS No: 2217-60-9 Catalog No: AG0032M9 MDL No:MFCD00045782

Product Description

Catalog Number:

AG0032M9

Chemical Name:

2-methyl-5-propan-2-ylbenzene-1,4-diol

CAS Number:

2217-60-9

Molecular Formula:

C10H14O2

Molecular Weight:

166.2170

MDL Number:

MFCD00045782

IUPAC Name:

2-methyl-5-propan-2-ylbenzene-1,4-diol

InChI:

InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,11-12H,1-3H3

InChI Key:

OQIOHYHRGZNZCW-UHFFFAOYSA-N

SMILES:

CC(c1cc(O)c(cc1O)C)C

UNII:

1C2ICM1R8V

NSC Number:

34803

Properties

Complexity:

145

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.22g/mol

Monoisotopic Mass:

166.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Identification of thymol phase I metabolites in human urine by headspace sorptive extraction combined with thermal desorption and gas chromatography mass spectrometry.	Journal of pharmaceutical and biomedical analysis 20110825
Determination of oxygen radical absorbance capacity of black cumin (Nigella sativa) seed quinone compounds.	Natural product communications 20110201
Terpene synthases of oregano (Origanum vulgare L.) and their roles in the pathway and regulation of terpene biosynthesis.	Plant molecular biology 20100801
In vitro acetylcholinesterase inhibitory properties of thymol, carvacrol and their derivatives thymoquinone and thymohydroquinone.	Phytotherapy research : PTR 20070301
The antitumor activity of thymoquinone and thymohydroquinone in vitro and in vivo.	Experimental oncology 20060901
[Model experiments of physiologic and pharmacologic interactions with epithelial ionic currents induced by stimulation of sensory receptors ].	Annales Academiae Medicae Stetinensis 20010101
Antimicrobial activity of the volatile oil of Nigella sativa Linneaus seeds.	Antimicrobial agents and chemotherapy 19740801