1,2-Dibenzyloxy-4-(2-hydroxyethyl)benzene - CAS 96826-11-8

Catalog:	BB067681
Product Name:	1,2-Dibenzyloxy-4-(2-hydroxyethyl)benzene
CAS:	96826-11-8
Synonyms:	2-(3,4-BIS(BENZYLOXY)PHENYL)ETHANOL; 2-[3,4-bis(phenylmethoxy)phenyl]ethanol; 3,4-Bis(benzyloxy)benzeneethanol

Technical Data

IUPAC Name:	2-[3,4-bis(phenylmethoxy)phenyl]ethanol
Description:	1,2-Dibenzyloxy-4-(2-hydroxyethyl)benzene is an intermediate in the synthesis of Dopal (D533885), the reactive metabolite of dopamine (D533780), an endogenous catecholamine with α and β-adrenergic activity.
Molecular Weight:	334.41
Molecular Formula:	C22H22O3
Canonical SMILES:	C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCO)OCC3=CC=CC=C3
InChI:	InChI=1S/C22H22O3/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15,23H,13-14,16-17H2
InChI Key:	GBDWTNPRRZVEFD-UHFFFAOYSA-N
Solubility:	DCM
Appearance:	Grey-White Solid

Complexity:	347
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	334.15689456
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	334.15689456
Rotatable Bond Count:	8
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2