2-(2,5-Dimethoxy-4-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole - CAS 89368-17-2

Catalog:	BB055911
Product Name:	2-(2,5-Dimethoxy-4-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole
CAS:	89368-17-2
Synonyms:	2-(2,5-Dimethoxy-4-methylphenyl)-4,4-dimethyl-4,5-dihydro-oxazole

Technical Data

IUPAC Name:	2-(2,5-dimethoxy-4-methylphenyl)-4,4-dimethyl-5H-1,3-oxazole
Description:	2-(2,5-Dimethoxy-4-methylphenyl)-4,5-dihydro-4,4-dimethyloxazole is an intermediate in the synthesis of 8-Hydroxycannabinol (H877008), a metabolite of Cannabinol (C175350), a metabolite of Tetrahydrocannabinol (T293200). A psychoactive substance cannabinoid that acts as a weak agonist of the CB1 and CB2 receptors.
Molecular Weight:	249.31
Molecular Formula:	C14H19NO3
Canonical SMILES:	CC1=CC(=C(C=C1OC)C2=NC(CO2)(C)C)OC
InChI:	InChI=1S/C14H19NO3/c1-9-6-12(17-5)10(7-11(9)16-4)13-15-14(2,3)8-18-13/h6-7H,8H2,1-5H3
InChI Key:	UEDOFGGPVGKQEJ-UHFFFAOYSA-N
Solubility:	Chloroform; Dichloromethane
Appearance:	White solid
References:	Yamamoto, I. et al. Chem. Pharmac. Bull., 35, 2144 (1987); Hawksworth, G. et al. Med. Use Cannabis Cannabinoid, 205 (2004); Holdcroft, A. et al. Pharmac. Sci., 3, 546 (1997).

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.13649347
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	40Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4