2-(1,1-Dimethylethyl)-4-iodo-1,3-dimethoxy-benzene - CAS 1243853-03-3

Catalog:	BB067288
Product Name:	2-(1,1-Dimethylethyl)-4-iodo-1,3-dimethoxy-benzene
CAS:	1243853-03-3
Synonyms:	3-tert-butyl-1-iodo-2,4-dimethoxybenzene; 2-(1,1-Dimethylethyl)-4-iodo-1,3-dimethoxy-benzene; 2-(tert-Butyl)-4-iodo-1,3-dimethoxybenzene

Technical Data

IUPAC Name:	3-tert-butyl-1-iodo-2,4-dimethoxybenzene
Description:	2-(1,1-Dimethylethyl)-4-iodo-1,3-dimethoxy-benzene is used to prepare bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase.
Molecular Weight:	320.17
Molecular Formula:	C12H17IO2
Canonical SMILES:	CC(C)(C)C1=C(C=CC(=C1OC)I)OC
InChI:	InChI=1S/C12H17IO2/c1-12(2,3)10-9(14-4)7-6-8(13)11(10)15-5/h6-7H,1-5H3
InChI Key:	ULDPRVMZTHPXSH-UHFFFAOYSA-N
References:	Spada, A., et al. US 5480883 A 19960102 (1996).

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.02733
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	320.02733
Rotatable Bond Count:	3
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2