4-Bromo-3-hydroxy-benzenemethanol 3-O-(2-Methoxyethoxymethyl) Ether - CAS 1797132-95-6

Catalog:	BB072136
Product Name:	4-Bromo-3-hydroxy-benzenemethanol 3-O-(2-Methoxyethoxymethyl) Ether
CAS:	1797132-95-6
Synonyms:	[4-Bromo-3-(2-methoxyethoxymethoxy)phenyl]methanol; 4-Bromo-3-hydroxy-benzenemethanol 3-O-(2-Methoxyethoxymethyl) Ether

Technical Data

IUPAC Name:	[4-bromo-3-(2-methoxyethoxymethoxy)phenyl]methanol
Description:	Intermediate in the preparation of α-adrenergic agonist, Phenylephrine (P320640).
Molecular Weight:	291.14
Molecular Formula:	C11H15BrO4
Canonical SMILES:	COCCOCOC1=C(C=CC(=C1)CO)Br
InChI:	InChI=1S/C11H15BrO4/c1-14-4-5-15-8-16-11-6-9(7-13)2-3-10(11)12/h2-3,6,13H,4-5,7-8H2,1H3
InChI Key:	JCNXDTCHVHEQOK-UHFFFAOYSA-N
Solubility:	Chloroform, Dichloromethane, Methanol
Appearance:	Light Brown Oil
Storage:	Refrigerator

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.01537
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	290.01537
Rotatable Bond Count:	7
Topological Polar Surface Area:	47.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5