1-Bromo-4-(1,1-dimethylheptyl)-2-(phenylmethoxy)-benzene - CAS 70120-16-0

Name: 1-Bromo-4-(1,1-dimethylheptyl)-2-(phenylmethoxy)-benzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB072158
Product Name:	1-Bromo-4-(1,1-dimethylheptyl)-2-(phenylmethoxy)-benzene
CAS:	70120-16-0
Synonyms:	2-(BENZYLOXY)-1-BROMO-4-(2-METHYLOCTAN-2-YL)BENZENE; 1-Bromo-4-(1,1-dimethylheptyl)-2-(phenylmethoxy)-benzene; 1-bromo-4-(2-methyloctan-2-yl)-2-phenylmethoxybenzene; 2-(3-Benzyloxy-4-bromophenyl)-2-methyloctane; Benzene, 1-bromo-4-(1,1-dimethylheptyl)-2-(phenylmethoxy)-

Technical Data

IUPAC Name:	1-bromo-4-(2-methyloctan-2-yl)-2-phenylmethoxybenzene
Description:	Intermediate in the synthesis of a cannabinoid receptor ligand.
Molecular Weight:	389.37
Molecular Formula:	C22H29BrO
Canonical SMILES:	CCCCCCC(C)(C)C1=CC(=C(C=C1)Br)OCC2=CC=CC=C2
InChI:	InChI=1S/C22H29BrO/c1-4-5-6-10-15-22(2,3)19-13-14-20(23)21(16-19)24-17-18-11-8-7-9-12-18/h7-9,11-14,16H,4-6,10,15,17H2,1-3H3
InChI Key:	GVFZTTDMOBMNCH-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Ethyl Acetate, Methanol
Appearance:	Colorless Oil

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	388.14018
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	388.14018
Rotatable Bond Count:	9
Topological Polar Surface Area:	9.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.5