2,5-Dimethoxy-4-(1-methylethyl)benzaldehyde - CAS 53581-82-1

Catalog:	BB067131
Product Name:	2,5-Dimethoxy-4-(1-methylethyl)benzaldehyde
CAS:	53581-82-1
Synonyms:	2,5-Dimethoxy-4-(propan-2-yl)benzaldehyde;4-Isopropyl-2,5-dimethoxybenzaldehyde

Technical Data

IUPAC Name:	2,5-dimethoxy-4-propan-2-ylbenzaldehyde
Description:	2,5-Dimethoxy-4-(1-methylethyl)benzaldehyde is an intermediate in the synthesis of 2C-iP Hydrochloride (I739385), a phenethylamine analytical reference standard intended for forensic and research applications. Phenethylamine has uses in food industry.
Molecular Weight:	208.25
Molecular Formula:	C12H16O3
Canonical SMILES:	CC(C)C1=C(C=C(C(=C1)OC)C=O)OC
InChI:	InChI=1S/C12H16O3/c1-8(2)10-6-11(14-3)9(7-13)5-12(10)15-4/h5-8H,1-4H3
InChI Key:	RVVOAJNVARQGQW-UHFFFAOYSA-N
References:	Wojnowski, W., et al. Microchemical, 145 130 (2019).

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.109944368
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.109944368
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5