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 |
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: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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