p-Methoxyisobutyrophenone - CAS 2040-20-2

Catalog:	BB063738
Product Name:	p-Methoxyisobutyrophenone
CAS:	2040-20-2
Synonyms:	1-(4-Methoxyphenyl)-2-methyl-1-propanone; 1-(4-Methoxyphenyl)-2-methylpropanone; 2-Methyl-1-(4-methoxyphenyl)-1-propanone; 2-Methyl-1-(4-methoxyphenyl)propanone; 4'-Methoxy-2-methylpropiophenone; 4'-Methoxyisobutyrophenone; Isopropyl 4-Methoxyphenyl Ketone; Isopropyl p-Methoxyphenyl Ketone; NSC 142584; p-Anisyl Isopropyl Ketone; p-Methoxy-α,α-dimethylacetophenone

Technical Data

IUPAC Name:	1-(4-methoxyphenyl)-2-methylpropan-1-one
Description:	p-Methoxyisobutyrophenone is an intermediate in the synthesis of pteridine derivatives with potential protective effects with vibrio cholerae infection.
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CC(C)C(=O)C1=CC=C(C=C1)OC
InChI:	InChI=1S/C11H14O2/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8H,1-3H3
InChI Key:	CHOMHKNFOBWRCW-UHFFFAOYSA-N
Solubility:	Chloroform, DCM, Ethyl Acetate
Appearance:	Light Yellow Oil
References:	Inukai, T., et al. J. Org. Chem., 32, 404 (1967); Izawa, Y., et al. Chem. Lett., 1, 33 (1984).

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8