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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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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